%chk=000003942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003942

1 1
 S  -0.9360000       2.401700       1.493600    
 S   -2.262700      -1.284900      -1.548200    
 N    3.027800     -0.3546000     -0.2479000    
 C    3.223200      -1.822100      0.1965000    
 C    1.813200      0.2978000      0.4434000    
 C    2.038000      -2.368500      0.9940000    
 C   0.5429000     -0.4945000      0.3131000    
 C   0.6872000      -1.988500      0.3966000    
 C    2.850900     -0.2904000      -1.768200    
 C    4.277800      0.4515000      0.1110000    
 C  -0.6481000      9.1200002E-02  0.1241000    
 C  -0.7031000       1.576500      5.3399999E-02
 C   -1.849700     -0.7768000     -5.1000002E-03
 C  -0.5845000       2.312100      -1.049800    
 C   -2.629100      -1.187900      0.9928000    
 C  -0.6906000       3.692600     -0.7139000    
 C   -3.676800      -2.001600      0.4731000    
 C  -0.8835000       3.883200      0.6368000    
 C   -3.596800      -2.136800     -0.8953000    
 H    4.133100      -1.879400      0.8047000    
 H    3.388500      -2.421600     -0.7060000    
 H    1.768200       1.312800      4.1200001E-02
 H    2.075200      0.3782000       1.506500    
 H    2.099200      -2.007500       2.029200    
 H    2.120900      -3.460500       1.049100    
 H  -8.4399998E-02  -2.440300       1.028500    
 H   0.6102000      -2.428000     -0.6051000    
 H    2.696400      0.7540000      -2.055500    
 H    3.758400     -0.6828000      -2.237100    
 H    1.986800     -0.8972000      -2.050400    
 H    4.405300      0.4253000       1.197300    
 H    5.137500     -6.0999999E-03 -0.3876000    
 H    4.138100       1.480700     -0.2329000    
 H  -0.4297000       1.936000      -2.052900    
 H   -2.500600     -0.9510000       2.041200    
 H  -0.6281000       4.504800      -1.426500    
 H   -4.450000      -2.464600       1.072600    
 H  -0.9958000       4.821700       1.161200    
 H   -4.258000      -2.695200      -1.542900    


%chk=000003942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003942

1 1
S -0.851152 2.305699 1.584786
S -2.018512 -2.755883 0.346154
N 3.091891 -0.227311 -0.210515
C 3.184443 -1.763465 -0.454209
C 1.906627 0.091737 0.776743
C 2.534202 -2.549095 0.691569
C 0.711724 -0.791776 0.536527
C 1.007851 -2.278802 0.711620
C 2.848755 0.482881 -1.535371
C 4.386140 0.278851 0.413139
C -0.530965 -0.235280 0.260722
C -0.654534 1.249836 0.116984
C -1.799727 -0.951509 0.118257
C -0.721028 2.016063 -1.040409
C -3.044571 -0.372336 -0.172923
C -0.901708 3.430034 -0.804894
C -4.138371 -1.294331 -0.229108
C -0.984894 3.756335 0.537869
C -3.767440 -2.607198 0.023727
H 4.252432 -2.000686 -0.592052
H 2.652981 -1.969035 -1.398723
H 1.682349 1.161773 0.652888
H 2.331367 -0.068500 1.785200
H 3.008951 -2.300600 1.659769
H 2.725391 -3.624050 0.525543
H 0.567613 -2.665469 1.652695
H 0.538224 -2.862573 -0.103860
H 2.926066 1.570779 -1.384309
H 3.600045 0.148724 -2.268074
H 1.836485 0.230035 -1.884330
H 4.625978 -0.333885 1.295979
H 5.200247 0.204185 -0.324451
H 4.253488 1.328576 0.718006
H -0.672178 1.575215 -2.040428
H -3.161603 0.700816 -0.334003
H -0.976332 4.171814 -1.603172
H -5.167176 -0.999095 -0.444254
H -1.127267 4.730815 1.002233
H -4.384490 -3.503991 0.049275


