%chk=000076645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076645

0 1
 S    5.560400     -0.5254000      -1.454500    
 O  -0.9199000       2.052700      0.3463000    
 O   -3.764400      -2.446900     -0.1148000    
 O   -1.762200      -3.894900      0.5220000    
 O   -2.922900       3.500900     -0.2877000    
 O    4.620800     -0.9939000      -2.463600    
 O    6.744300      0.2199000      -1.859400    
 N    1.227900      0.7737000       1.013900    
 N   -5.912900      -1.168000     -0.7783000    
 N    6.049700      -1.854000     -0.4980000    
 C  -0.9455000     -0.2974000      0.4997000    
 C   -1.694200      -1.469800      0.3770000    
 C   -3.739600     -9.6500002E-02 -0.2655000    
 C   -2.991000       1.076000     -0.1429000    
 C   0.4036000     -0.3658000      0.8675000    
 C   -1.566500       1.018400      0.2442000    
 C   -3.118600      -1.412100     -1.0100000E-02
 C   -1.093700      -2.710600      0.6221000    
 C   -5.088900     -2.8200001E-02 -0.6327000    
 C   0.9980000      -1.604300       1.110900    
 C   -3.591600       2.316800     -0.3874000    
 C   0.2509000      -2.774200      0.9884000    
 C    2.607300      0.9781000      0.8341000    
 C   -5.683500       1.210400     -0.8756000    
 C   -4.936500       2.380300     -0.7532000    
 C    3.313300      0.2199000     -0.1033000    
 C    4.681800      0.4235000     -0.2817000    
 C    3.278500       1.941100       1.592000    
 C    5.348400       1.385900      0.4768000    
 C    4.646700       2.144500       1.413700    
 H    2.033000      -1.695600       1.429100    
 H   0.7350000       1.592200       1.358000    
 H   0.7221000      -3.733300       1.187000    
 H   -6.730200       1.281200      -1.161900    
 H   -5.409700       3.339800     -0.9450000    
 H    2.797200     -0.5169000     -0.7128000    
 H    2.743700       2.538300       2.326300    
 H   -5.547500      -2.095500     -0.6166000    
 H   -6.882500      -1.058200      -1.045200    
 H    6.414700       1.556900      0.3592000    
 H    5.166100       2.892700       2.005500    
 H   -2.684400      -3.749400      0.2640000    
 H   -2.001100       3.355500     -2.8100001E-02
 H    5.595500      -2.759000     -0.6710000    
 H    7.046000      -1.928000     -0.2584000    


%chk=000076645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076645

0 1
S 6.010481 -0.742728 -1.053769
O -0.969382 2.164236 0.340067
O -3.894085 -2.535416 -0.164825
O -1.863324 -3.908831 0.194413
O -3.001045 3.537597 -0.018700
O 5.192496 -1.409978 -2.292888
O 7.427424 0.037707 -1.246312
N 1.200957 0.801514 0.585815
N -6.062247 -1.135743 -0.548188
N 6.235118 -2.135497 0.135700
C -0.975283 -0.263195 0.286358
C -1.770297 -1.460727 0.177106
C -3.867297 -0.113188 -0.179848
C -3.080038 1.087454 -0.046258
C 0.449298 -0.366347 0.489850
C -1.645066 1.023760 0.195991
C -3.211771 -1.399226 -0.059989
C -1.150805 -2.744739 0.297214
C -5.282369 -0.012332 -0.419903
C 1.026045 -1.671598 0.649662
C -3.705782 2.370015 -0.146841
C 0.249122 -2.824630 0.556350
C 2.599641 0.971513 0.564400
C -5.874969 1.296165 -0.523420
C -5.111504 2.451813 -0.390172
C 3.485510 0.106027 -0.137689
C 4.851324 0.408741 -0.106478
C 3.139152 2.118846 1.219366
C 5.418106 1.521204 0.530703
C 4.519263 2.392967 1.192633
H 2.087403 -1.767880 0.889219
H 0.591146 1.657403 0.596965
H 0.691380 -3.815896 0.690063
H -6.952540 1.373716 -0.709570
H -5.561597 3.445654 -0.467077
H 3.123918 -0.729092 -0.744247
H 2.457574 2.791328 1.751808
H -5.578049 -2.045764 -0.460218
H -7.062697 -1.058857 -0.718371
H 6.494508 1.709395 0.483741
H 4.903497 3.284848 1.697663
H -2.861259 -3.618306 0.019300
H -2.004827 3.252123 0.157995
H 6.198857 -3.011535 -0.413344
H 7.131611 -2.011723 0.635719


