%chk=000040269.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040269

0 1
 S  -0.4590000      0.4169000       1.370800    
 O    2.257300     -0.8629000      0.7777000    
 O   -3.215900     -0.4997000       1.597400    
 O    1.475900      -1.492100      -1.319800    
 N   -4.065700      8.8500001E-02 -0.4749000    
 N    2.026100      -3.086800      0.2727000    
 C   -1.704600      0.5802000      6.6200003E-02
 C   0.9718000       1.164700      0.5971000    
 C   -3.046900      5.2000000E-03  0.4846000    
 C    2.145800      0.4415000      0.3967000    
 C   0.8913000       2.496300      0.1937000    
 C    3.243700       1.052100     -0.2095000    
 C   -5.414700     -0.4182000     -0.2319000    
 C   -3.856700      0.6871000      -1.787700    
 C    1.989200       3.106800     -0.4125000    
 C    3.165400       2.384800     -0.6141000    
 C    1.879800      -1.799800     -0.2024000    
 C    1.717400      -4.264600     -0.5043000    
 H   -1.340400      4.2700000E-02 -0.8146000    
 H   -1.837900       1.641800     -0.1593000    
 H  -8.8999998E-03   3.085100      0.3493000    
 H    4.164000      0.4968000     -0.3698000    
 H   -5.642000      -1.188400     -0.9744000    
 H   -6.124900      0.4082000     -0.3254000    
 H   -5.497300     -0.8499000      0.7686000    
 H   -4.553200       1.524400      -1.897500    
 H   -4.085900     -6.5899998E-02  -2.548500    
 H   -2.850100       1.057800      -1.972200    
 H    1.929400       4.145200     -0.7252000    
 H    4.020400       2.860400      -1.085400    
 H    2.369900      -3.212900       1.219700    
 H    1.358000      -4.001600      -1.501800    
 H   0.9510000      -4.833000      2.8300000E-02
 H    2.624800      -4.868100     -0.5838000    


%chk=000040269-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040269

0 1
S -0.251710 0.463266 1.455386
O 2.387152 -0.791260 0.257422
O -2.861970 -0.765174 1.514585
O 0.696360 -1.277907 -1.348136
N -3.732851 -0.279464 -0.591699
N 1.509068 -2.878309 0.173419
C -1.453743 0.530700 -0.015154
C 1.147922 1.330005 0.610452
C -2.729704 -0.221971 0.372007
C 2.269001 0.616697 0.111990
C 1.153416 2.742122 0.514785
C 3.366477 1.291836 -0.462581
C -4.999368 -0.956555 -0.265963
C -3.646662 0.318482 -1.931641
C 2.242746 3.428631 -0.067219
C 3.353317 2.700032 -0.552753
C 1.423038 -1.634451 -0.388588
C 0.663914 -3.992868 -0.262451
H -0.930602 0.057017 -0.864494
H -1.661130 1.589776 -0.245694
H 0.302911 3.298256 0.923968
H 4.211877 0.701957 -0.829503
H -5.175123 -1.805623 -0.954387
H -5.850123 -0.252502 -0.348043
H -4.933849 -1.331163 0.766714
H -4.330744 1.185810 -2.027668
H -3.931122 -0.429004 -2.696899
H -2.623949 0.653580 -2.155046
H 2.229573 4.522017 -0.127620
H 4.206466 3.223496 -0.997548
H 2.102155 -2.973345 0.998245
H 0.165567 -3.700050 -1.199759
H -0.113482 -4.225324 0.489044
H 1.272270 -4.896111 -0.447371


