%chk=000021729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021729

0 1
 S    3.671000       2.068400     -0.6275000    
 N   0.1465000      -2.610000      0.1133000    
 N   -4.105900       1.295600     -0.3022000    
 C   -1.898400      0.3864000      0.5309000    
 C  -0.8601000     -0.6422000      0.3168000    
 C   0.5146000     -0.4112000      3.1099999E-02
 C   -3.037800      0.3272000     -0.5316000    
 C    1.123500      -1.662000     -9.1799997E-02
 C   -1.055600      -2.003400      0.3609000    
 C   -2.502300      0.3502000       1.959000    
 C    1.301900      0.7456000     -0.1351000    
 C    2.485700      -1.814500     -0.3737000    
 C    2.665900      0.6083000     -0.4176000    
 C    3.246600     -0.6530000     -0.5346000    
 C   -5.171200       1.132300      -1.280300    
 C    3.475600       2.882300      0.9825000    
 H   -1.434800       1.377400      0.4325000    
 H   -2.598600      0.4824000      -1.526000    
 H   -3.467500     -0.6834000     -0.5279000    
 H   -1.939500      -2.597600      0.5470000    
 H   -3.133900       1.222900       2.152200    
 H   -1.705300      0.3502000       2.711300    
 H   -3.104300     -0.5523000       2.112000    
 H   0.2960000      -3.609100      8.5299999E-02
 H   0.8449000       1.727700     -5.0700001E-02
 H    2.938600      -2.796100     -0.4648000    
 H   -3.727000       2.240100     -0.3619000    
 H    4.307500     -0.7572000     -0.7535000    
 H   -5.627000      0.1392000      -1.210400    
 H   -4.807900       1.289200      -2.301200    
 H   -5.958200       1.868000      -1.087400    
 H    4.129300       3.757600       1.022400    
 H    3.755400       2.200400       1.790100    
 H    2.444300       3.214000       1.127200    


%chk=000021729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021729

0 1
S 2.914767 2.374519 -1.228595
N 0.336977 -2.693219 0.751587
N -3.814516 1.510039 -0.356507
C -2.215819 0.073828 0.932540
C -1.018591 -0.843519 0.777753
C 0.292436 -0.464499 0.268265
C -2.827941 0.414005 -0.460489
C 1.119930 -1.643810 0.263509
C -0.945728 -2.208049 1.060792
C -3.298493 -0.486458 1.880734
C 0.849420 0.765684 -0.173219
C 2.462034 -1.624834 -0.177417
C 2.187819 0.790018 -0.609307
C 2.985804 -0.394228 -0.619898
C -4.548349 1.795323 -1.603846
C 3.874107 2.903989 0.316319
H -1.849704 1.033647 1.362709
H -2.003185 0.638659 -1.181090
H -3.350099 -0.483655 -0.847841
H -1.705814 -2.871160 1.468290
H -4.159609 0.202272 1.902311
H -2.908750 -0.616258 2.906740
H -3.665677 -1.467827 1.523292
H 0.646638 -3.654415 0.873619
H 0.259301 1.688078 -0.179792
H 3.079898 -2.529584 -0.187491
H -3.383515 2.358854 0.036037
H 4.014458 -0.337059 -0.990930
H -5.160990 0.916484 -1.878762
H -3.896450 2.035044 -2.479839
H -5.236798 2.644643 -1.445464
H 4.380964 3.848420 0.060964
H 4.619147 2.136508 0.576870
H 3.178328 3.061960 1.154456


