%chk=000170715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170715

0 1
 S   -3.937300      -2.681000      2.4200000E-02
 S  -0.2911000       2.903500     -0.2751000    
 O   -3.271500      -2.654500      -1.466900    
 O  -0.9586000       2.782600       1.210500    
 O   -2.845000      -2.762300      0.9798000    
 O   -5.007500      -3.663300      2.7700000E-02
 O   0.7502000       3.914700     -0.1960000    
 O   -1.363500       3.010500      -1.249100    
 O   -8.703100       1.364500      0.5168000    
 O   -8.804800     -0.8129000      0.2568000    
 N   -8.146700      0.2481000      0.3814000    
 N    3.935500      5.6100000E-02 -0.7898000    
 N    4.367200     -0.1638000      0.3663000    
 N    9.962300     -0.3422000      0.3130000    
 C   -3.957700      5.5399999E-02  0.3470000    
 C  -0.2504000      0.1903000     -0.7552000    
 C   -4.694300      -1.111100      0.2106000    
 C   0.4864000       1.356700     -0.5501000    
 C   -2.484300      3.5000000E-02  0.3429000    
 C   -1.707800      0.1913000     -0.7534000    
 C   -6.087600      -1.047100      0.2213000    
 C    1.880500       1.312100     -0.5612000    
 C   -4.582000       1.285700      0.4939000    
 C   0.4068000      -1.021000     -0.9712000    
 C   -6.728100      0.1833000      0.3682000    
 C    2.537800      0.1009000     -0.7774000    
 C   -5.975200       1.349700      0.5045000    
 C    1.800900      -1.065600     -0.9824000    
 C    5.771900     -0.2092000      0.3543000    
 C    8.553000     -0.2980000      0.3280000    
 C    6.501700      0.9575000      0.5594000    
 C    6.422000      -1.419900      0.1361000    
 C    7.895900      0.9129000      0.5462000    
 C    7.816100      -1.464300      0.1230000    
 C    10.70790      -1.494400      0.7161000    
 H   -2.025000     -9.4400004E-02   1.320500    
 H   -2.171300      0.3227000      -1.728700    
 H   -6.675600      -1.953700      0.1120000    
 H    2.478000       2.205800     -0.4027000    
 H   -4.008500       2.202900      0.6020000    
 H  -0.1483000      -1.941700      -1.131800    
 H   -6.440000       2.325400      0.6214000    
 H    2.304100      -2.013900      -1.152300    
 H   -2.390900      -2.221500      -1.538200    
 H  -0.3244000       2.619700       1.947700    
 H    5.997600       1.904800      0.7307000    
 H    5.855100      -2.332700     -2.6000001E-02
 H    8.458300       1.829100      0.7075000    
 H    8.298100      -2.420700     -5.7900000E-02
 H    10.43760      0.5543000      0.3398000    
 H    10.39330      -1.851300       1.702500    
 H    11.77110      -1.241200      0.7800000    
 H    10.61280      -2.308400     -9.3999999E-03


%chk=000170715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170715

0 1
S -4.638028 -3.063557 -0.137767
S 0.120322 3.063280 0.220345
O -4.019265 -3.079568 -1.895239
O -0.530378 3.017434 1.969511
O -3.378587 -3.379195 0.828656
O -5.973583 -3.966470 -0.025065
O 1.414974 4.028988 0.153140
O -1.141790 3.369097 -0.751099
O -8.771490 1.825808 -0.098345
O -9.203367 -0.418289 -0.154202
N -8.396093 0.589370 -0.127343
N 3.947584 -0.585200 0.120060
N 4.742549 0.469238 0.150859
N 10.335259 -0.245695 0.174267
C -4.132152 -0.209471 -0.134629
C -0.293134 0.191341 0.132768
C -5.121697 -1.235944 -0.153118
C 0.673109 1.239469 0.187450
C -2.696371 -0.487157 -0.159911
C -1.733430 0.439592 0.155817
C -6.502726 -1.022960 -0.154950
C 2.051599 1.073627 0.187334
C -4.651685 1.127019 -0.124001
C 0.264354 -1.125809 0.082905
C -6.942949 0.314495 -0.128646
C 2.565187 -0.257052 0.125540
C -6.026748 1.392301 -0.117707
C 1.648724 -1.344313 0.078376
C 6.121018 0.194539 0.153582
C 8.958143 -0.115619 0.166889
C 6.978866 1.336877 0.182620
C 6.708835 -1.109861 0.130711
C 8.366883 1.190950 0.189208
C 8.096500 -1.264821 0.137122
C 11.048504 -1.524603 0.155013
H -2.397839 -1.496963 -0.455137
H -2.043501 1.443796 0.459788
H -7.219142 -1.850878 -0.165591
H 2.746013 1.919554 0.223301
H -3.949910 1.965067 -0.161308
H -0.412484 -1.985426 0.084911
H -6.410800 2.415612 -0.116958
H 2.057837 -2.358741 0.049264
H -3.821585 -4.030255 -2.140734
H -0.753781 3.957360 2.233488
H 6.513364 2.327623 0.199537
H 6.044685 -1.979424 0.108307
H 9.013830 2.076291 0.211403
H 8.528846 -2.269728 0.119486
H 10.888964 0.610332 0.196972
H 10.798108 -2.145473 1.037067
H 12.133166 -1.333055 0.170500
H 10.816894 -2.108134 -0.757149


