$CONTRL runtyp=energy ecp=read scftyp=MCSCF mplevl=2 inttyp=hondo $END
 $SYSTEM TIMLIM=60000 MEMORY=20000000 $END
 $guess guess=moread norb=84 $end
 $drt group=C1 fors=.true. nmcc=20 ndoc=4 nval=6 $end
 $mrmp mrpt=mcqdpt rdvecs=.t. $end
 $mcqdpt kstate(1)=1,1 NMOFZC=4 NMODOC=16 NMOACT=10 
 edshft=0.02 thrgen=1d-12 $end
 $DATA
120.0 MCSCF singlet state 2 start at state 1 opt geom Si3(CH3)4 using HWDZ ECP
 C1
 SI         14.0  -0.1882958564   0.5454345205  -0.8238116167
 S   2
  1        1.222000000        -0.5707339000
  2       0.2595000000          1.282382600
 S   1
  1       0.9310000000E-01      1.000000000
 P   2
  1        2.580000000        -0.7772500000E-01
  2       0.2984000000          1.019787000
 P   1
  1       0.8850000000E-01      1.000000000

 SI         14.0  -2.3991895208   0.5048273110  -0.1689985285
 S   2
  1        1.222000000        -0.5707339000
  2       0.2595000000          1.282382600
 S   1
  1       0.9310000000E-01      1.000000000
 P   2
  1        2.580000000        -0.7772500000E-01
  2       0.2984000000          1.019787000
 P   1
  1       0.8850000000E-01      1.000000000

 SI         14.0   1.4584708557   1.6762858793   0.5435191844
 S   2
  1        1.222000000        -0.5707339000
  2       0.2595000000          1.282382600
 S   1
  1       0.9310000000E-01      1.000000000
 P   2
  1        2.580000000        -0.7772500000E-01
  2       0.2984000000          1.019787000
 P   1
  1       0.8850000000E-01      1.000000000

 C           6.0  -3.7078662029   1.4933945525   0.7906903894
 S   7
  1        4233.000000         0.1220000000E-02
  2        634.9000000         0.9342000000E-02
  3        146.1000000         0.4545200000E-01
  4        42.50000000         0.1546570000
  5        14.19000000         0.3588660000
  6        5.148000000         0.4386320000
  7        1.967000000         0.1459180000
 S   2
  1        5.148000000        -0.1683670000
  2       0.4962000000          1.060091000
 S   1
  1       0.1533000000          1.000000000
 P   4
  1        18.16000000         0.1853900000E-01
  2        3.986000000         0.1154360000
  3        1.143000000         0.3861880000
  4       0.3594000000         0.6401140000
 P   1
  1       0.1146000000          1.000000000

 C           6.0  -3.1963774017  -1.1849965494  -0.5420854656
 S   7
  1        4233.000000         0.1220000000E-02
  2        634.9000000         0.9342000000E-02
  3        146.1000000         0.4545200000E-01
  4        42.50000000         0.1546570000
  5        14.19000000         0.3588660000
  6        5.148000000         0.4386320000
  7        1.967000000         0.1459180000
 S   2
  1        5.148000000        -0.1683670000
  2       0.4962000000          1.060091000
 S   1
  1       0.1533000000          1.000000000
 P   4
  1        18.16000000         0.1853900000E-01
  2        3.986000000         0.1154360000
  3        1.143000000         0.3861880000
  4       0.3594000000         0.6401140000
 P   1
  1       0.1146000000          1.000000000

 C           6.0   0.9210458445   3.4702770308   1.1228621233
 S   7
  1        4233.000000         0.1220000000E-02
  2        634.9000000         0.9342000000E-02
  3        146.1000000         0.4545200000E-01
  4        42.50000000         0.1546570000
  5        14.19000000         0.3588660000
  6        5.148000000         0.4386320000
  7        1.967000000         0.1459180000
 S   2
  1        5.148000000        -0.1683670000
  2       0.4962000000          1.060091000
 S   1
  1       0.1533000000          1.000000000
 P   4
  1        18.16000000         0.1853900000E-01
  2        3.986000000         0.1154360000
  3        1.143000000         0.3861880000
  4       0.3594000000         0.6401140000
 P   1
  1       0.1146000000          1.000000000

 C           6.0   3.0121885787   1.8826228795  -0.5522748384
 S   7
  1        4233.000000         0.1220000000E-02
  2        634.9000000         0.9342000000E-02
  3        146.1000000         0.4545200000E-01
  4        42.50000000         0.1546570000
  5        14.19000000         0.3588660000
  6        5.148000000         0.4386320000
  7        1.967000000         0.1459180000
 S   2
  1        5.148000000        -0.1683670000
  2       0.4962000000          1.060091000
 S   1
  1       0.1533000000          1.000000000
 P   4
  1        18.16000000         0.1853900000E-01
  2        3.986000000         0.1154360000
  3        1.143000000         0.3861880000
  4       0.3594000000         0.6401140000
 P   1
  1       0.1146000000          1.000000000

 H           1.0  -3.5519842066   1.2072775216   1.8300397212
 S   3
  1        19.23840000         0.3282800000E-01
  2        2.898700000         0.2312040000
  3       0.6535000000         0.8172260000
 S   1
  1       0.1776000000          1.000000000

 H           1.0  -3.5850467306   2.5684170417   0.7427343689
 S   3
  1        19.23840000         0.3282800000E-01
  2        2.898700000         0.2312040000
  3       0.6535000000         0.8172260000
 S   1
  1       0.1776000000          1.000000000

 H           1.0  -4.7236830437   1.2375615205   0.5148508301
 S   3
  1        19.23840000         0.3282800000E-01
  2        2.898700000         0.2312040000
  3       0.6535000000         0.8172260000
 S   1
  1       0.1776000000          1.000000000

 H           1.0  -4.2510008383  -1.1104512832  -0.7866275281
 S   3
  1        19.23840000         0.3282800000E-01
  2        2.898700000         0.2312040000
  3       0.6535000000         0.8172260000
 S   1
  1       0.1776000000          1.000000000

 H           1.0  -2.6869446616  -1.7047144080  -1.3420209776
 S   3
  1        19.23840000         0.3282800000E-01
  2        2.898700000         0.2312040000
  3       0.6535000000         0.8172260000
 S   1
  1       0.1776000000          1.000000000

 H           1.0  -3.1095353841  -1.7974335116   0.3526974889
 S   3
  1        19.23840000         0.3282800000E-01
  2        2.898700000         0.2312040000
  3       0.6535000000         0.8172260000
 S   1
  1       0.1776000000          1.000000000

 H           1.0   3.1444149454   1.0357591783  -1.2176578673
 S   3
  1        19.23840000         0.3282800000E-01
  2        2.898700000         0.2312040000
  3       0.6535000000         0.8172260000
 S   1
  1       0.1776000000          1.000000000

 H           1.0   2.8933051887   2.7792286558  -1.1511310962
 S   3
  1        19.23840000         0.3282800000E-01
  2        2.898700000         0.2312040000
  3       0.6535000000         0.8172260000
 S   1
  1       0.1776000000          1.000000000

 H           1.0   3.9232593111   1.9853418123   0.0287985119
 S   3
  1        19.23840000         0.3282800000E-01
  2        2.898700000         0.2312040000
  3       0.6535000000         0.8172260000
 S   1
  1       0.1776000000          1.000000000

 H           1.0   1.5167701750   3.8367289852   1.9525158068
 S   3
  1        19.23840000         0.3282800000E-01
  2        2.898700000         0.2312040000
  3       0.6535000000         0.8172260000
 S   1
  1       0.1776000000          1.000000000

 H           1.0   1.0239075815   4.1247753918   0.2658063635
 S   3
  1        19.23840000         0.3282800000E-01
  2        2.898700000         0.2312040000
  3       0.6535000000         0.8172260000
 S   1
  1       0.1776000000          1.000000000

 H           1.0  -0.1116249384   3.4742945198   1.4528337302
 S   3
  1        19.23840000         0.3282800000E-01
  2        2.898700000         0.2312040000
  3       0.6535000000         0.8172260000
 S   1
  1       0.1776000000          1.000000000

 $END
 $ECP
SI-ECP GEN 10    2
 5      ----- d   potential   -----
    -10.00000000  1      505.31376930
    -84.92360870  2      103.22210260
    -30.32994100  2       23.45692480
    -12.10490460  2        6.75056930                                           
     -1.89454080  2        2.16031400                                           
 5      ----- s-d potential   -----                                             
      3.00000000  0      689.49107190                                           
     60.52068330  1      114.17285100                                           
    201.30861370  2       35.74243360                                           
     65.93997450  2        9.45295860                                           
     19.03007890  2        2.25435900                                           
 6      ----- p-d potential   -----                                             
      5.00000000  0       88.93793550                                           
      6.64138170  1       76.77735380                                           
    247.59724160  2       56.14809870                                           
    129.37153800  2       21.18740140                                           
     47.46171070  2        6.82772760                                           
     11.73765740  2        2.10011920                                           
SI-ECP                                                                          
SI-ECP                                                                          
C-ECP NONE                                                                      
C-ECP NONE                                                                      
C-ECP NONE                                                                      
C-ECP NONE                                                                      
H-ECP NONE                                                                      
H-ECP NONE                                                                      
H-ECP NONE                                                                      
H-ECP NONE                                                                      
H-ECP NONE                                                                      
H-ECP NONE                                                                      
H-ECP NONE                                                                      
H-ECP NONE                                                                      
H-ECP NONE                                                                      
H-ECP NONE                                                                      
H-ECP NONE                                                                      
H-ECP NONE                                                                      
 $END                                                                           
 $ZMAT   IZMAT(1)=                                                              
         1,   2,   1,                                                           
         1,   3,   1,                                                           
         2,   3,   1,   2,                                                      
         1,   4,   2,                                                           
         2,   4,   2,   1,                                                      
         3,   4,   2,   1,   3,                                                 
         1,   5,   2,                                                           
         2,   5,   2,   1,                                                      
         3,   5,   2,   1,   4,                                                 
         1,   6,   3,                                                           
         2,   6,   3,   1,                                                      
         3,   6,   3,   1,   2,                                                 
         1,   7,   3,                                                           
         2,   7,   3,   1,                                                      
         3,   7,   3,   1,   6,                                                 
         1,   8,   4,                                                           
         2,   8,   4,   2,                                                      
         3,   8,   4,   2,   1,                                                 
         1,   9,   4,                                                           
         2,   9,   4,   2,                                                      
         3,   9,   4,   2,   8,                                                 
         1,  10,   4,                                                           
         2,  10,   4,   2,                                                      
         3,  10,   4,   2,   8,                                                 
         1,  11,   5,                                                           
         2,  11,   5,   2,                                                      
         3,  11,   5,   2,   1,                                                 
         1,  12,   5,                                                           
         2,  12,   5,   2,                                                      
         3,  12,   5,   2,  11,                                                 
         1,  13,   5,                                                           
         2,  13,   5,   2,                                                      
         3,  13,   5,   2,  11,                                                 
         1,  14,   7,                                                           
         2,  14,   7,   3,                                                      
         3,  14,   7,   3,   1,                                                 
         1,  15,   7,                                                           
         2,  15,   7,   3,                                                      
         3,  15,   7,   3,  14,                                                 
         1,  16,   7,                                                           
         2,  16,   7,   3,                                                      
         3,  16,   7,   3,  14,                                                 
         1,  17,   6,                                                           
         2,  17,   6,   3,                                                      
         3,  17,   6,   3,   1,                                                 
         1,  18,   6,                                                           
         2,  18,   6,   3,                                                      
         3,  18,   6,   3,  17,                                                 
         1,  19,   6,                                                           
         2,  19,   6,   3,                                                      
         3,  19,   6,   3,  17,                                                 
 $END                                                                           
--- NATURAL ORBITALS OF MCSCF --- GENERATED AT  0:53:13 LT  12-OCT-2003
120.0 MCSCF singlet state 2 start at state 1 opt geom Si3(CH3)4 using HWDZ ECP  
E(MCSCF)=     -169.6315396392,  2 ITERS, E(NUC)=  171.9211726550
 $VEC   
 1  1 3.58142717E-06 9.91732298E-05-5.28770957E-05-4.09609632E-06 1.13057773E-05
 1  2-1.37347733E-04-5.05003190E-05-1.10895481E-05 1.69270555E-04 3.54435839E-04
 1  3-9.84029425E-05 1.45342311E-04 9.24358390E-05-3.31013281E-04 1.07120198E-04
 1  4 1.90048293E-04-2.34146432E-05 3.53285714E-05 1.29694168E-05 9.90686611E-06
 1  5 1.15957188E-05 2.10663086E-05-8.90992438E-06-2.56046917E-05 9.98828704E-01
 1  6 4.88530036E-03-1.08839955E-03 1.37372296E-05-2.90958260E-05 1.35190251E-04
 1  7-1.13995265E-04 1.57296482E-04 2.02365000E-05-4.59390648E-04-2.12385773E-05
 1  8-5.11164045E-05-4.15802672E-06-4.00418930E-05-1.62292003E-05 3.77542223E-05
 1  9-5.99422010E-05 1.67826811E-05-6.18104272E-05-1.42406273E-06-1.68478365E-06
 1 10-1.17507471E-06 2.42191947E-06-3.17512802E-07-5.50794741E-06-8.38692452E-06
 1 11 7.66679689E-06 7.39624611E-06 7.50316260E-06-1.31119860E-05-7.16557128E-06
 1 12-2.23638730E-06 6.18019238E-06-1.81206973E-05 3.77179366E-06-1.50978233E-05
 1 13 3.93570357E-04 1.46438855E-04 4.40929302E-04 7.03336761E-05 4.41118693E-04
 1 14 1.20083040E-04 2.67352993E-06 1.25774946E-05-7.91514561E-06 1.29117313E-05
 1 15 1.24349632E-05-7.14938786E-05 5.16696287E-07 3.53642500E-06 1.89782753E-06
 1 16-1.41280358E-05-4.35564819E-06 1.36365799E-05-1.75437756E-06 2.23596770E-06
 1 17-7.55989344E-07 1.02401817E-05 3.86096303E-07 6.04814891E-08
 2  1 2.71253811E-04 2.25023863E-04 1.04158052E-05-3.13173208E-05 5.78250033E-05
 2  2 1.47239972E-04 3.69313193E-06 9.32292647E-05 6.45063374E-05 9.98291619E-05
 2  3 1.02153249E-04 3.67015325E-06 2.23021614E-05 1.14303986E-04-2.01299080E-05
 2  4-2.86278280E-05-4.52268299E-04 3.35857211E-06 2.03388352E-04-4.69302848E-04
 2  5-3.05785677E-04-1.04572892E-05-3.83624992E-06-5.58628505E-05 6.52747384E-05
 2  6-1.08890595E-05 7.01588087E-06-1.21542892E-05 2.31826567E-06 6.36918197E-06
 2  7-1.15998640E-05-2.12926861E-05-9.74692530E-06-3.08985197E-04-9.42897434E-06
 2  8-4.43076443E-05-1.69733262E-05-2.08989274E-05-3.22700343E-06-2.90781028E-05
 2  9-6.21403959E-06 1.78418635E-05 9.99077462E-01 4.37151249E-03-1.89389340E-03
 2 10-4.20301115E-04 1.44965834E-03 3.80035160E-04-1.54370733E-04 5.91990519E-04
 2 11 1.69290211E-04-2.43081148E-04 7.31587485E-05 2.02944068E-04-1.75376665E-04
 2 12 1.71078763E-05 1.38899287E-04-8.08626812E-05 2.06064534E-05 1.71762559E-04
 2 13-4.21879834E-06 1.35867648E-05-4.41010766E-06 2.06860768E-05 5.83212118E-06
 2 14 8.07152613E-06 6.72962466E-06 1.29198750E-05-3.55511438E-06 2.13301803E-05
 2 15-1.78723177E-06-3.00687878E-06-7.47099943E-05-5.51099974E-05 2.39030581E-05
 2 16 3.88314699E-05 1.46967433E-05-8.62124520E-05 5.18417239E-04 3.80201368E-04
 2 17 5.27071040E-04 4.15724013E-04 5.18439906E-04 4.16328583E-04
 3  1-1.46563325E-05 1.55036716E-05-2.83461373E-05-2.44040098E-06-5.40144167E-06
 3  2-1.05810175E-05 9.55867141E-06 1.78922697E-05 1.58089594E-04 3.82192223E-04
 3  3-6.02203354E-05-2.13502640E-04-7.19479651E-05-1.03229490E-04-1.32689557E-04
 3  4-2.17221814E-05-2.44805263E-05-4.73329262E-05 2.77944854E-05 7.85134433E-06
 3  5 9.93121365E-06 1.37296360E-05 1.90921790E-05 2.41067605E-05 4.72413288E-04
 3  6-9.80813370E-06-8.32767540E-05-1.93792683E-05 3.17652050E-05 1.99557688E-05
 3  7 1.88816036E-05-9.18200557E-06 7.06612428E-05 9.98826153E-01 4.87533495E-03
 3  8-1.04047094E-03-4.07199773E-05-9.17235549E-05 6.24469565E-05-2.10882396E-05
 3  9-6.67796922E-05-7.27264291E-05 3.16271527E-04-4.15381009E-07-8.18674773E-06
 3 10-1.33148543E-06 7.10629035E-06 2.04261397E-06-1.21573444E-05-1.16721582E-06
 3 11-1.27527644E-05 1.76963441E-04 3.21541829E-06 2.54296386E-05-1.25415946E-05
 3 12-2.48426024E-06 5.73313974E-06-9.87274639E-06-8.88331543E-06 9.71134316E-06
 3 13 1.42224856E-05-7.73323535E-05-7.92963063E-06 4.27535876E-05-2.77348941E-06
 3 14 3.97375805E-05 4.17968139E-04 1.64223187E-04 4.30069320E-04 1.30854963E-04
 3 15 3.89180177E-04 1.82109921E-04 1.03927315E-07 1.11284232E-06-1.33072073E-06
 3 16 4.69069913E-06-2.56345756E-06-1.02542913E-05-2.25671173E-06 9.92522366E-06
 3 17 1.81357351E-06-4.58274293E-06 1.62219147E-06 2.59646062E-06
 4  1-3.05515574E-05-1.01121730E-04-3.18107681E-06-9.94839052E-06-6.16610881E-06
 4  2-5.96714656E-06-3.08281033E-05-1.25758071E-05-2.20577458E-05-1.14007665E-05
 4  3-3.06864410E-05-7.92865387E-06 4.79270812E-06 3.12266386E-05 2.43775278E-05
 4  4 2.17691030E-05 1.42266438E-04 4.57393502E-04 1.92958026E-04 2.97779527E-05
 4  5-1.11588256E-04 6.53690210E-05 6.41892014E-05-1.41352634E-04-1.04250267E-05
 4  6 4.55315087E-06-2.12217658E-06 5.09130443E-06-1.24131790E-06-2.45376334E-06
 4  7-1.57110439E-05-9.34546998E-06-1.20027328E-05-1.81637258E-04-1.28805313E-06
 4  8 2.43680894E-05 5.41752612E-06 5.64998058E-06 7.34849689E-07-5.08840759E-06
 4  9 1.95180968E-05-8.94564419E-06 1.97925400E-04 2.26702323E-05-8.22586996E-05
 4 10-8.36455628E-06-2.20375871E-05-4.91368875E-07 3.88674141E-05 1.81693256E-05
 4 11 6.82023100E-05 9.98832096E-01 4.85200540E-03-1.04122920E-03 7.40079660E-05
 4 12 3.85058019E-05-3.39284040E-05 9.11608689E-05-2.91553194E-05-3.32953590E-05
 4 13-6.55583125E-07 6.19704808E-06 1.26847590E-06 6.27519080E-06-4.24610566E-07
 4 14-1.25171179E-05-2.03537485E-06-6.89443284E-06 4.81855744E-07 3.45459313E-06
 4 15-2.86204229E-06 1.31736003E-05 4.26389602E-04 1.50454660E-04 4.09585571E-04
 4 16 1.81376389E-04 4.11221011E-04 1.48934944E-04 1.07734698E-05-7.32347275E-05
 4 17-1.01728179E-06 1.36484581E-05-7.90647137E-06 3.37020027E-05
 5  1 1.25739144E-02-1.01793639E-03 1.90877509E-03 3.06699344E-03 4.06485131E-03
 5  2 9.63038476E-03 4.17061732E-03-6.87791389E-04 1.23497813E-01 5.07296286E-03
 5  3-5.96067564E-02-7.80227707E-03 2.02456750E-02 1.98339964E-02-3.14036203E-03
 5  4-7.76648335E-03 1.09729949E-02 7.61197466E-03-4.26939363E-03-3.06636787E-03
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83  6-1.26754371E-01 5.90869043E-01 3.02595561E-02-9.65521761E-03-1.05317360E-02
83  7-2.23589449E-01-1.49741688E-01 3.50880777E-02 2.69492357E-04 5.91038396E-03
83  8-1.41213497E-01-2.86987107E-02 1.11977823E-02 4.72951061E-03-2.87947367E-01
83  9-2.89147782E-01 2.48029294E-01-3.67128591E-03-7.77519073E-02 1.27567011E-01
83 10 2.35284014E-02 1.36900189E-02 3.68747655E-02-6.32970532E-02-3.15092876E-01
83 11-6.01842644E-01-5.07069390E-03-9.46912241E-02 4.57905228E-01-1.77919997E-02
83 12-1.26222372E-02-1.52224779E-02-2.94963452E-01 9.54588682E-03 2.94060714E-01
83 13 4.27475970E-02-2.52859138E-01 4.78170490E-03-1.84369081E-02 4.66469959E-03
83 14-2.18464325E-01 1.63528106E-02-1.40951107E-01 9.52412374E-03-9.92096515E-03
83 15 1.11503535E-01-5.54444506E-01-2.70010774E-02 1.58879095E-01-8.62555881E-02
83 16 3.26891507E-01-6.05190780E-02 1.71081239E-01-1.10247606E-01 6.01675350E-01
83 17-4.99962462E-02 3.64616755E-02-4.57659139E-02 1.78339460E-01
84  1 1.43878926E+00-3.78031872E+00-6.49931253E-02 5.29488582E-02 5.88937353E-02
84  2-1.19673326E-02-8.83285263E-01-9.87768517E-01-5.57181476E-01 1.54593853E+00
84  3-5.54496638E-02-3.74567253E-03 1.61095918E-02 1.00102861E+00 3.27182386E-01
84  4-2.73583810E-02-2.00120497E+00 4.82109899E+00 8.39218165E-02-2.26848586E-02
84  5 1.47174137E-01-6.96796252E-01 3.43279317E-01-1.24789692E+00 1.01940113E-03
84  6 3.58094877E-02-2.76134940E-02 1.39859217E-02-6.59856109E-03 8.42625948E-04
84  7-3.36759985E-01-1.63402803E-01-5.52648385E-02-2.82239865E-03-5.37878962E-02
84  8 2.43815657E-01-6.17030335E-05 9.11075830E-03-1.01516466E-02-1.56635207E-01
84  9 1.00736243E-02 9.62378466E-02 8.85473048E-03 1.37130565E-01-5.12810515E-01
84 10-1.03757550E-03 1.73514990E-02 1.93255127E-02-6.51656345E-02 5.72936942E-01
84 11 3.68176935E-01 7.72896810E-03 1.55598994E-01-5.58619110E-01 4.45252376E-03
84 12-8.78602635E-03-9.97917547E-04 7.55500621E-01 1.09890445E-01-1.16515644E-01
84 13 2.61987583E-02-2.00041294E-02 1.78503390E-02 7.47005537E-02 1.57484094E-02
84 14-1.87689363E-01-1.99836211E-02-3.61111970E-02 1.43003596E-02-3.16396985E-02
84 15 1.76443140E-02-1.23885604E-01 7.18633349E-02-2.18284191E-01 1.25970193E-01
84 16-4.27238092E-01 8.88284798E-02-4.66366116E-01 6.98230492E-02-3.39277082E-01
84 17 1.23978790E-01-4.15289910E-01 8.31319322E-02-2.92969243E-01
 $END