!  AlanineDipeptide   ---   quapp
!
 $CONTRL SCFTYP=RHF NZVAR=60 exetyp=ginvr nprint=1 
         runtyp=optimize coord=zmt $END
 $SYSTEM TIMLIM=8 MEMORY=8400000 $END
 $BASIS  GBASIS=N31 NGAUSS=6 NDFUNC=0 $END
 $statpt hess=calc nstep=1 dxmax=0.000001 nprt=-2 npun=3
         IFREEZ=6,60 $END
 $force  METHOD=analytic PRTIFC=.true. $END
 $DATA
AlanineDipeptide CHASS atom numbers
C1
 h
 c   1 ch2
 c   2 cc3        1 cch3
 o   3 oc4        2 occ4         1 64.0
 h   2 hc5        3 hcc5         4 dih5
 h   2 hc6        3 hcc6         4 dih6
 n   3 nc7        2 ncc7         1 dih7
 c   7 cn8        3 cnc8         2 dih8
 c   8 cc9        7 ccn9         3 dih9
 o   9 oc10       8 occ10        7 dih10
 h   8 hc11       7 hcn11        3 dih11
 h   7 hn12       3 hnc12        2 dih12
 c   8 cc13       7 ccn13        3 dih13
 h  13 hc14       8 hcc14        7 dih14
 h  13 hc15       8 hcc15        7 dih15
 h  13 hc16       8 hcc16        7 dih16
 n   9 nc17       8 ncc17        7 dih17
 c  17 cn18       9 cnc18        8 dih18
 h  18 hc19      17 hcn19        9 dih19
 h  17 hn20       9 hnc20        8 dih20
 h  18 hc21      17 hcn21        9 dih21
 h  18 hc22      17 hcn22        9 -119.0