%chk=000117154.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117154

0 1
 S   -4.161100      -2.178200      0.2331000    
 O   -3.786000       2.825700     -0.5931000    
 O   -4.191800      -2.809100      -1.274700    
 O   -3.414500      -3.108400       1.067500    
 O   -5.516700      -1.787500      0.5872000    
 N    2.455600       1.559000      0.4301000    
 N    6.319100      -2.402300     -0.4973000    
 C   -1.079700      0.4311000      0.1734000    
 C   -1.726000       1.654700     -0.1237000    
 C    1.057400       1.591200      0.2459000    
 C   0.3128000      0.4164000      0.3553000    
 C   -1.845000     -0.7417000      0.2799000    
 C   -3.227600     -0.7086000      9.6100003E-02
 C   -3.118500       1.669300     -0.3056000    
 C  -0.9607000       2.827400     -0.2301000    
 C   0.4219000       2.794300     -4.6200000E-02
 C   -3.863000      0.4946000     -0.1961000    
 C    3.425500      0.5648000      0.1973000    
 C    4.575200      0.5104000      0.9872000    
 C    3.239400     -0.3685000     -0.8240000    
 C    5.535800     -0.4745000      0.7565000    
 C    4.199800      -1.353500      -1.054500    
 C    5.348000      -1.406500     -0.2643000    
 H   0.8012000     -0.5233000      0.6064000    
 H   -1.346700      -1.683600      0.5006000    
 H   -1.399800       3.790900     -0.4720000    
 H   0.9929000       3.714900     -0.1384000    
 H   -4.938300      0.5356000     -0.3496000    
 H    2.837300       2.422800      0.8054000    
 H    4.732600       1.230200       1.786500    
 H    2.365900     -0.3380000      -1.469600    
 H    6.426100     -0.5055000       1.379200    
 H    4.044400      -2.071100      -1.856100    
 H   -3.310900       3.589600     -0.2313000    
 H   -3.312600      -3.052000      -1.649400    
 H    7.151500      -2.441600      7.5800002E-02
 H    6.183300      -3.078700      -1.236700    


%chk=000117154-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117154

0 1
S -4.102713 -2.291839 0.173770
O -3.935260 2.869109 -0.213034
O -4.234064 -2.557601 -1.665324
O -3.180673 -3.466914 0.795351
O -5.595980 -2.039394 0.744734
N 2.546319 1.702678 0.156530
N 6.386264 -2.482136 -0.212757
C -1.016284 0.457712 0.082394
C -1.732454 1.714836 -0.037935
C 1.150367 1.645146 0.091995
C 0.409154 0.447737 0.146870
C -1.758583 -0.769557 0.139907
C -3.141370 -0.689838 0.076902
C -3.172930 1.699862 -0.098708
C -0.956761 2.919950 -0.073631
C 0.431686 2.891238 -0.017468
C -3.892574 0.501228 -0.043849
C 3.474355 0.617443 0.074587
C 4.625573 0.622180 0.903703
C 3.322020 -0.437628 -0.863418
C 5.597888 -0.390494 0.802528
C 4.277053 -1.465959 -0.951499
C 5.435593 -1.463851 -0.120308
H 0.920547 -0.511069 0.267337
H -1.250015 -1.732600 0.245161
H -1.440414 3.903056 -0.152598
H 0.998583 3.829569 -0.060495
H -4.984304 0.500031 -0.075223
H 2.951394 2.626624 0.314410
H 4.756154 1.422606 1.642228
H 2.464761 -0.442982 -1.544155
H 6.480572 -0.360659 1.452610
H 4.134849 -2.271901 -1.681669
H -3.366609 3.675581 -0.269481
H -4.842911 -3.340633 -1.804922
H 7.205224 -2.487629 0.387546
H 6.262343 -3.253600 -0.861387


