%chk=000174716.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174716

0 1
 S   -6.147700      -1.686700      0.9717000    
 O    5.839600     -0.7155000      0.1632000    
 O   -7.471700      -1.665000       1.565100    
 O   -5.984600      -1.833300     -0.4610000    
 N  -0.3562000      0.9227000     -0.8978000    
 N    3.595200      0.6061000      0.4638000    
 N   -2.802800       1.341800      -2.292600    
 N   -5.267300     -0.3266000       1.555500    
 N    5.555500      -3.003800      0.4077000    
 C   0.9836000      0.8152000     -0.4360000    
 C    1.701200     -0.3643000     -0.6589000    
 C    1.572900       1.890000      0.2374000    
 C    3.022700     -0.4262000     -0.1852000    
 C   -1.586700      0.6168000     -0.3015000    
 C   -2.795600      0.8195000     -0.9798000    
 C    2.899400       1.739900      0.6759000    
 C    3.742500      -1.597800     -0.4041000    
 C    1.134000      -1.460100      -1.332400    
 C   -4.009600      0.5086000     -0.3673000    
 C   -1.612400      9.8300003E-02  0.9993000    
 C   -4.024900     -7.4000000E-03  0.9286000    
 C   0.8751000       3.086900      0.4754000    
 C   -2.826400     -0.2126000       1.611900    
 C    3.491700       2.806500       1.346900    
 C    3.181900      -2.688600      -1.073200    
 C    1.874900      -2.620100      -1.538500    
 C    1.490000       4.138200       1.148600    
 C    2.801000       3.997400       1.585100    
 C    5.118800      -1.721300      6.4199999E-02
 C   -3.375000      0.5770000      -3.381000    
 C   -2.250300       2.653400      -2.560900    
 C   -5.250100      -3.004300       1.760800    
 C    6.881400      -3.284800      0.9092000    
 H  -0.3998000       1.032600      -1.906100    
 H   0.1168000      -1.438500      -1.714900    
 H   -4.946300      0.6861000     -0.8909000    
 H  -0.6960000     -7.3500000E-02   1.558000    
 H  -0.1497000       3.232200      0.1445000    
 H   -2.826500     -0.6155000       2.621400    
 H    4.518200       2.720500       1.698800    
 H    3.741200      -3.595600      -1.283800    
 H    1.436900      -3.461200      -2.067100    
 H   0.9493000       5.061800       1.330300    
 H    3.290400       4.811800       2.111200    
 H   -5.257500     -0.2196000       2.578800    
 H   -3.063300      0.9778000      -4.351600    
 H   -3.049700     -0.4683000      -3.338500    
 H   -4.468800      0.6062000      -3.343000    
 H   -1.316200       2.575400      -3.126300    
 H   -2.954500       3.240300      -3.161200    
 H   -2.060200       3.222500      -1.644200    
 H    4.904500      -3.781900      0.4032000    
 H   -5.258300      -2.844000       2.840600    
 H   -5.755700      -3.943200       1.523900    
 H   -4.230300      -3.029700       1.373400    
 H    7.153700      -4.302200      0.6194000    
 H    6.860500      -3.204200       1.998900    
 H    7.603500      -2.572300      0.5028000    


%chk=000174716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000174716

0 1
S -6.655677 -0.987962 0.973183
O 6.152083 -3.114552 -1.153926
O -8.075606 -0.834930 1.749985
O -6.571744 -1.089401 -0.650921
N -0.360660 0.332650 -0.814164
N 3.662347 -0.072839 0.573223
N -2.492006 0.825067 -2.408207
N -5.515501 0.657898 1.479291
N 6.022911 -1.323285 0.343942
C 0.942401 0.204902 -0.304242
C 1.772470 -0.851004 -0.819251
C 1.490326 1.134092 0.642226
C 3.159292 -0.937060 -0.368149
C -1.583728 0.506155 -0.146305
C -2.731417 0.723983 -0.992660
C 2.865227 0.922635 1.072168
C 4.016167 -1.975241 -0.920088
C 1.271628 -1.833161 -1.739392
C -4.013754 0.759169 -0.420968
C -1.761407 0.354203 1.254880
C -4.195774 0.583121 0.983078
C 0.791402 2.292416 1.129846
C -3.051366 0.367990 1.810042
C 3.441331 1.822054 2.036137
C 3.479592 -2.878149 -1.843363
C 2.111594 -2.823557 -2.243639
C 1.388230 3.158366 2.043084
C 2.720337 2.910398 2.517184
C 5.487821 -2.183030 -0.583802
C -3.594178 0.380867 -3.292957
C -1.891772 2.113222 -2.861230
C -5.786112 -2.580603 1.645666
C 7.423585 -1.403879 0.756775
H -0.521107 0.093361 -1.806315
H 0.214172 -1.828699 -2.025688
H -4.900564 0.929933 -1.036086
H -0.894194 0.172290 1.895794
H -0.221118 2.501597 0.774769
H -3.178782 0.215652 2.889235
H 4.468352 1.624848 2.358841
H 4.158149 -3.643478 -2.235584
H 1.721511 -3.573461 -2.939552
H 0.842027 4.038510 2.398396
H 3.171985 3.592032 3.245988
H -5.570554 0.643521 2.518333
H -3.191600 0.222009 -4.308962
H -4.014142 -0.568783 -2.924498
H -4.421043 1.122203 -3.364007
H -1.507468 1.997941 -3.890130
H -2.639049 2.936826 -2.854253
H -1.053313 2.399960 -2.205730
H 5.356560 -0.614146 0.724637
H -5.881759 -2.552007 2.739686
H -6.340536 -3.417775 1.199114
H -4.743788 -2.540061 1.300310
H 7.509753 -1.615092 1.839848
H 7.957125 -0.458648 0.540892
H 7.903639 -2.221666 0.195214


