%chk=000150473.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150473

0 1
 S    5.395900      -3.289000     -0.1733000    
 S   -6.089200      -2.096300      0.7780000    
 O   -2.616800      0.3121000      -2.793700    
 O    6.122500      -4.402400      0.4081000    
 O    4.593000      -3.475300      -1.365500    
 O   -7.499900      -2.178400       1.107900    
 O   -5.583400      -2.684400     -0.4464000    
 N  -0.5144000      0.9750000      -1.045500    
 N    3.035300       2.067500      0.8971000    
 N    4.482300      -2.526100       1.071400    
 N   -5.590800     -0.4543000      0.9243000    
 C   0.6889000       1.345400     -0.3858000    
 C    1.617600      0.3609000     -3.3599999E-02
 C   0.9345000       2.691300     -9.5799997E-02
 C    2.793800      0.7725000      0.6156000    
 C    2.137400       3.011800      0.5557000    
 C    1.396600     -0.9991000     -0.3126000    
 C    3.722300     -0.2030000      0.9690000    
 C   -1.781400      0.6180000     -0.5657000    
 C    3.506000      -1.555300      0.6931000    
 C   1.8600000E-02   3.701400     -0.4383000    
 C    2.340800      -1.954700      5.1100001E-02
 C    2.387600       4.350100      0.8471000    
 C   -2.820100      0.2906000      -1.446300    
 C   -2.019300      0.5861000      0.8139000    
 C   -4.304500     -9.2399999E-02  0.4209000    
 C   0.2927000       5.031900     -0.1356000    
 C   -4.076600     -6.3299999E-02 -0.9549000    
 C    1.479700       5.356500      0.5084000    
 C   -3.275900      0.2322000       1.305300    
 C    6.589800      -2.014800     -0.5128000    
 C   -5.198300      -2.817500       2.138500    
 C   -2.164800     -0.8969000      -3.399800    
 H  -0.4341000       1.007300      -2.057500    
 H   0.4972000      -1.345600     -0.8148000    
 H    4.640900      9.7300000E-02   1.472000    
 H  -0.9168000       3.483000     -0.9468000    
 H    2.147500      -3.002300     -0.1619000    
 H    3.310900       4.630000       1.351200    
 H   -1.238000      0.8332000       1.528100    
 H    5.017200      -2.273600       1.913300    
 H  -0.4156000       5.810300     -0.4020000    
 H   -4.876800     -0.3021000      -1.651400    
 H    1.703500       6.391700      0.7489000    
 H   -3.441900      0.2114000       2.379300    
 H   -5.830900     -3.3000000E-03   1.817300    
 H    7.124900      -1.773600      0.4076000    
 H    6.078800      -1.138000     -0.9134000    
 H    7.290900      -2.401700      -1.255900    
 H   -5.477200      -2.302600       3.059700    
 H   -5.482100      -3.870400       2.204400    
 H   -4.126300      -2.738300       1.951200    
 H   -2.912900      -1.686900      -3.279600    
 H   -1.210600      -1.216300      -2.969100    
 H   -2.020900     -0.7115000      -4.467700    


%chk=000150473-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000150473

0 1
S 4.804343 -3.587429 1.216679
S -5.428425 -3.156009 0.374430
O -2.666297 0.967624 -2.396345
O 6.046985 -4.107535 2.119049
O 3.491542 -4.495074 0.942506
O -6.684979 -3.824980 1.161726
O -5.465101 -2.904924 -1.236119
N -0.589647 1.409237 -0.860057
N 3.280821 2.528980 0.663559
N 4.232943 -2.000759 2.103531
N -5.115528 -1.285226 1.212166
C 0.674204 1.745884 -0.324915
C 1.555205 0.772929 0.241827
C 1.115353 3.109079 -0.426051
C 2.842246 1.233858 0.758595
C 2.449187 3.439927 0.063044
C 1.280024 -0.640888 0.272971
C 3.743383 0.280209 1.340178
C -1.640112 0.692452 -0.268486
C 3.405072 -1.076290 1.423789
C 0.296610 4.162907 -0.959922
C 2.158881 -1.542669 0.854745
C 2.919877 4.793506 -0.061770
C -2.794046 0.455305 -1.094162
C -1.672602 0.251122 1.080249
C -3.935017 -0.663730 0.756813
C 0.783657 5.465578 -1.059322
C -3.925205 -0.195462 -0.594381
C 2.112545 5.781692 -0.617962
C -2.785893 -0.450438 1.575591
C 5.470177 -3.033461 -0.503718
C -3.873049 -4.262097 0.698325
C -3.796949 0.773305 -3.315338
H -0.848536 1.836405 -1.756004
H 0.349780 -1.013921 -0.163271
H 4.698850 0.664787 1.713546
H -0.733765 3.950268 -1.265595
H 1.923456 -2.610352 0.905294
H 3.928917 5.004588 0.304820
H -0.821487 0.453758 1.735572
H 5.066624 -1.624911 2.583333
H 0.144969 6.258884 -1.462259
H -4.816128 -0.366493 -1.202214
H 2.480691 6.809533 -0.706338
H -2.784202 -0.803821 2.613828
H -5.098202 -1.511291 2.227701
H 6.357385 -2.415842 -0.309454
H 4.656095 -2.479286 -0.990397
H 5.713463 -3.968571 -1.026995
H -3.866809 -4.488632 1.773175
H -4.028606 -5.158252 0.081683
H -2.999657 -3.679780 0.373782
H -4.696592 1.301133 -2.947778
H -4.018966 -0.302370 -3.439166
H -3.469883 1.205644 -4.271787


