! Input file for NH2CH2CH3: 
 $CONTRL RUNTYP=rsurface MAXIT=100 NZVAR=24 COORD=CART MPLEVL=0 $END 
 $SYSTEM TIMLIM=5000 MEMORY=30000000 $END 
 $SCF SOSCF=.F. DIIS=.T. $END 
 $BASIS GBASIS=N31 NGAUSS=6 NDFUNC=1 $END 
! To freeze coords # 12 and # 1 during constrained optimization 
 $STATPT OPTTOL=1D-5 NSTEP=1000 IFREEZ(1)=1,12 method=gdiis $END 
! To scan along coords # 12 and # 1
 $SURF NDISP1=2 DISP1=5.00 VECT1(12)=1 ORIG1=0 
       NDISP2=3 DISP2=0.01 VECT2(1) =1 ORIG2=0 $END 
 $DATA
ETHANAMINE..... 31-6G*                                                          
C1       
C           6.0      1.2821330361     -0.2492947954      0.0158889981
C           6.0     -0.0207942194      0.5685296039     -0.0351143786
H           1.0      1.9003992340      0.0321792977      0.8611086096
H           1.0      1.0575759478     -1.3051118561      0.1168047461
H           1.0      1.8773282717     -0.1183041485     -0.8819851640
N           7.0     -1.1866428307     -0.3012316514      0.0660596010
H           1.0     -0.0607186424      1.2529903575      0.8045889608
H           1.0     -0.0322923886      1.1856600759     -0.9346513513
H           1.0     -2.0296550475      0.2405082315      0.0787616509
H           1.0     -1.2435561138     -0.9035792399     -0.7335691346
 $END      
 $ZMAT   IZMAT(1)=
          1,    2,    1,
          1,    3,    1,
          2,    3,    1,    2,
          1,    4,    1,
          2,    4,    1,    2,
          3,    4,    1,    2,    3,
          1,    5,    1,
          2,    5,    1,    2,
          3,    5,    1,    2,    3,
          1,    6,    2,
          2,    6,    2,    1,
          3,    6,    2,    1,    4,
          1,    7,    2,
          2,    7,    2,    1,
          3,    7,    2,    1,    3,
          1,    8,    2,
          2,    8,    2,    1,
          3,    8,    2,    1,    3,
          1,    9,    6,
          2,    9,    6,    2,
          3,    9,    6,    2,    1,
          1,   10,    6,
          2,   10,    6,    2,
          3,   10,    6,    2,    1,
 $END