%chk=000104407.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104407

0 1
 S   -1.963500      -2.120300     -0.7281000    
 O   -6.284400      0.5321000     -0.4768000    
 O    5.994800      0.5410000     -0.7350000    
 N   -3.585900     -0.1156000     -0.1121000    
 C   -4.314400      0.5850000      0.9364000    
 C   -4.128900      1.2700000E-02  -1.457400    
 C   -5.799800      0.2636000      0.8437000    
 C   -5.621700     -0.2860000      -1.447400    
 C   -2.420000     -0.7609000      0.1325000    
 C   -1.574900     -0.1743000       1.251900    
 C  -0.1939000      0.1797000      0.8140000    
 C    2.135100     -0.4468000      0.4954000    
 C   0.8297000     -0.7639000      0.9050000    
 C    2.406000      0.8457000     -1.3700000E-02
 C   7.2499998E-02   1.450700      0.3134000    
 C    1.363600       1.782900     -9.8099999E-02
 C    3.177600      -1.384000      0.5798000    
 C    3.711500       1.162800     -0.4232000    
 C    4.735000      0.2191000     -0.3322000    
 C    4.468600      -1.051900      0.1684000    
 C    6.992900     -0.4717000     -0.6163000    
 H   -4.144100       1.657100      0.7860000    
 H   -3.971800      0.3009000       1.935200    
 H   -3.618200     -0.5955000      -2.206500    
 H   -3.972600       1.061100      -1.741800    
 H   -6.365400      0.8863000       1.543700    
 H   -5.998300     -0.7860000       1.091700    
 H   -5.818100      -1.341500      -1.224600    
 H   -6.056900     -6.2700003E-02  -2.426500    
 H   -2.003600      0.7308000       1.690600    
 H   -1.535600     -0.9058000       2.070600    
 H   0.6191000      -1.752900       1.308500    
 H  -0.7171000       2.193500      0.2345000    
 H    1.548700       2.782000     -0.4870000    
 H    2.991100      -2.383400      0.9679000    
 H    3.936400       2.152200     -0.8174000    
 H    5.215700      -1.832100      0.2662000    
 H    7.932200     -4.4000000E-02 -0.9817000    
 H    6.767200      -1.335600      -1.250600    
 H    7.156400     -0.7552000      0.4291000    


%chk=000104407-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104407

0 1
S -2.864272 -3.107224 0.933107
O -5.100729 0.960964 -1.628849
O 5.509206 1.023910 -0.480728
N -3.166332 -0.618609 -0.158352
C -3.013482 0.853806 -0.279308
C -3.894168 -1.196449 -1.316259
C -4.399407 1.510966 -0.461313
C -5.256857 -0.498565 -1.478407
C -2.682124 -1.392518 0.869242
C -1.918657 -0.685154 1.992598
C -0.530941 -0.173286 1.587659
C 1.627285 -0.471387 0.428008
C 0.313870 -0.930169 0.768719
C 2.095563 0.803607 0.938873
C -0.060741 1.087845 2.091200
C 1.212809 1.563657 1.778489
C 2.507803 -1.235584 -0.402783
C 3.405246 1.259569 0.601808
C 4.239770 0.484517 -0.213702
C 3.787881 -0.778490 -0.723281
C 6.427432 0.242403 -1.312289
H -2.387311 1.067426 -1.168111
H -2.501509 1.272046 0.598202
H -4.014493 -2.279174 -1.137173
H -3.282315 -1.044584 -2.227259
H -4.293050 2.590211 -0.659650
H -5.010500 1.360348 0.455554
H -5.900336 -0.720009 -0.600363
H -5.760387 -0.836526 -2.398300
H -2.517189 0.150117 2.408124
H -1.815784 -1.428764 2.800983
H -0.029193 -1.899683 0.385881
H -0.717314 1.679193 2.742827
H 1.554616 2.527252 2.174494
H 2.164178 -2.201946 -0.790284
H 3.775642 2.218209 0.979500
H 4.437318 -1.387203 -1.359275
H 7.342944 0.849133 -1.371746
H 6.020035 0.085620 -2.330106
H 6.660491 -0.736375 -0.849629


