$contrl icharg=1 scftyp=mcscf d5=.t. icut=10 inttyp=hondo nprint=-5 $end       
 $system mwords=30 timlim=100000 freshf=.f. memf=.t. $end                       
 $smp csmtx=.t. $end                                                            
 $p2p p2p=1 dlb=1 $end                                                          
 $guess guess=moread norb=540 kdiag=0 $end                                      
 $trans dirtrf=.t. mptran=2 mode=112 $end                                       
 $mcscf maxit=100 cistep=aldet $end                                             
 $det group=c1 ncore=88 nact=12 nels=12 nstate=3 wstate(1)=1,1 $end             
 $drt group=c1 fors=.t. nmcc=88 ndoc=6 nval=6 $end                             
 $gugem pack2=1 $end                                                           
 $gugdm2 wstate(1)=1.,1. $end                                                  
 $gugdia nstate=2 $end                                                         
 $DATA
 ret_trans_gas cc-pVDZ                                                          
C1
C5          6.0      6.3623688095     -2.3183238118      0.6696052299
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C6          6.0      6.3018810411     -2.8672623706     -0.5812893183
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C7          6.0      5.4258346596     -2.3676290844     -1.6233663850
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C8          6.0      4.1481092815     -1.8973466375     -1.5168232928
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C9          6.0      3.3601374366     -1.4257192201     -2.6179563996
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C10         6.0      2.0527701602     -1.0440923207     -2.3515157612
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C11         6.0      1.1183915173     -0.5466441215     -3.2769605972
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C12         6.0     -0.1753254721     -0.1935682372     -2.9373423914
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C13         6.0     -1.1424661319      0.3146516045     -3.8315959976
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C14         6.0     -2.4129466635      0.6103706392     -3.3199635948
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C15         6.0     -3.4794563059      1.1176325989     -4.0522904966
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C19         6.0      3.9625113644     -1.3602494403     -3.9871141134
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C20         6.0     -0.7938684702      0.5122441776     -5.2770396666
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
NZ          7.0     -4.6744760458      1.3838725620     -3.5520787824
   S      8
     1      9046.0000000000  0.00070000
     2      1357.0000000000  0.00538900
     3       309.3000000000  0.02740600
     4        87.7300000000  0.10320700
     5        28.5600000000  0.27872300
     6        10.2100000000  0.44854000
     7         3.8380000000  0.27823800
     8         0.7466000000  0.01544000
   S      8
     1      9046.0000000000 -0.00015300
     2      1357.0000000000 -0.00120800
     3       309.3000000000 -0.00599200
     4        87.7300000000 -0.02454400
     5        28.5600000000 -0.06745900
     6        10.2100000000 -0.15807800
     7         3.8380000000 -0.12183100
     8         0.7466000000  0.54900300
   S      1
     1         0.2248000000  1.00000000
   P      3
     1        13.5500000000  0.03991900
     2         2.9170000000  0.21716900
     3         0.7973000000  0.51031900
   P      1
     1         0.2185000000  1.00000000
   D      1
     1         0.8170000000  1.00000000
       
H53         1.0      5.8372927149     -2.4422926149     -2.6352797681
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H55         1.0      3.6510638266     -1.9090203765     -0.5450434313
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H57         1.0      1.7135138751     -1.1385387428     -1.3153042230
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H59         1.0      1.4310560461     -0.4325202075     -4.3175248235
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H61         1.0     -0.4810927579     -0.3173343498     -1.8942300880
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H63         1.0     -2.5787176429      0.4244519602     -2.2544440365
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H65         1.0     -3.3763610798      1.3298064049     -5.1194819308
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H38         1.0     -4.8291627087      1.2078055566     -2.5629444636
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H85         1.0      3.2672924471     -0.9882635583     -4.7467423840
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H87         1.0      4.2999630897     -2.3582372921     -4.3068892646
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H89         1.0      4.8470866709     -0.7059225791     -3.9898106378
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H91         1.0     -1.5919193975      0.9835042797     -5.8597521716
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H93         1.0     -0.5660315504     -0.4549383540     -5.7504358508
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H95         1.0      0.1004902276      1.1444011617     -5.3758385526
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
C1          6.0      7.2263178171     -4.0148562913     -1.0293150460
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C4          6.0      7.3083552532     -2.8318768866      1.7202649214
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C18         6.0      5.5352712606     -1.1557167044      1.1312189506
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C32         6.0     -5.7978108831      1.9280619002     -4.3095929006
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C2          6.0      7.8433026364     -4.7111422314      0.1921967339
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C3          6.0      8.4136508824     -3.7335597603      1.1994094468
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C16         6.0      8.3342385493     -3.4631235149     -1.9398252109
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
C17         6.0      6.4239785290     -5.0734081656     -1.8001409821
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
H41         1.0      7.0642817071     -5.3203415848      0.6837900103
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
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   P      1
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H43         1.0      8.6154155173     -5.4153989627     -0.1567452445
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H45         1.0      8.8907464139     -4.2665185033      2.0351051768
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H47         1.0      9.2022249796     -3.1214726102      0.7321117596
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
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     1         0.7270000000  1.00000000
       
H49         1.0      6.6957820031     -3.3742677093      2.4681090383
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
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H51         1.0      7.7267498641     -1.9728624489      2.2700085929
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
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H67         1.0      8.9737259029     -2.7395762478     -1.4139935807
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H69         1.0      7.9246584246     -2.9545709227     -2.8268321308
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
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   P      1
     1         0.7270000000  1.00000000
       
H71         1.0      8.9709197750     -4.2852101794     -2.3033392065
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H73         1.0      5.5792286108     -5.4462138787     -1.2006589221
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
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     1         0.7270000000  1.00000000
       
H75         1.0      7.0715572153     -5.9311107730     -2.0400392268
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H77         1.0      6.0227844958     -4.6934562725     -2.7520598370
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H79         1.0      6.1269652370     -0.5190180142      1.8058930269
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H81         1.0      4.6680541855     -1.5028570325      1.7204997384
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H83         1.0      5.1576097094     -0.5340535084      0.3104795182
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
C30         6.0     -7.0162980881      2.1002415175     -3.4213066699
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
H10         1.0     -5.5011317671      2.8984986245     -4.7420018398
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H10         1.0     -6.0275853638      1.2479464021     -5.1470260970
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
C31         6.0     -8.2026888775      2.6953131157     -4.1696137129
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
H11         1.0     -7.2993003563      1.1201265483     -2.9970209510
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H11         1.0     -6.7537715951      2.7524753606     -2.5686383910
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
C32         6.0     -9.4251642400      2.8743615713     -3.2833507489
   S      8
     1      6665.0000000000  0.00069200
     2      1000.0000000000  0.00532900
     3       228.0000000000  0.02707700
     4        64.7100000000  0.10171800
     5        21.0600000000  0.27474000
     6         7.4950000000  0.44856400
     7         2.7970000000  0.28507400
     8         0.5215000000  0.01520400
   S      8
     1      6665.0000000000 -0.00014600
     2      1000.0000000000 -0.00115400
     3       228.0000000000 -0.00572500
     4        64.7100000000 -0.02331200
     5        21.0600000000 -0.06395500
     6         7.4950000000 -0.14998100
     7         2.7970000000 -0.12726200
     8         0.5215000000  0.54452900
   S      1
     1         0.1596000000  1.00000000
   P      3
     1         9.4390000000  0.03810900
     2         2.0020000000  0.20948000
     3         0.5456000000  0.50855700
   P      1
     1         0.1517000000  1.00000000
   D      1
     1         0.5500000000  1.00000000
       
H11         1.0     -7.9082632126      3.6685264548     -4.5998368618
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H11         1.0     -8.4546375376      2.0464574626     -5.0265999658
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H12         1.0    -10.2638912379      3.3061333183     -3.8473914629
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H12         1.0     -9.2122214792      3.5470050913     -2.4375109633
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
H12         1.0     -9.7641932726      1.9124272094     -2.8676937686
   S      3
     1        13.0100000000  0.01968500
     2         1.9620000000  0.13797700
     3         0.4446000000  0.47814800
   S      1
     1         0.1220000000  1.00000000
   P      1
     1         0.7270000000  1.00000000
       
 $END      

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