%chk=000163952.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163952

0 1
 S   -3.210500       3.147000     -7.9800002E-02
 O    2.020100      0.7774000     -0.6777000    
 O   -5.133800     -0.9041000     -0.3899000    
 O   -4.355200       3.818000     -0.6641000    
 O   -2.054700       2.811200     -0.8890000    
 N    1.073400      -2.600300      0.4579000    
 N   -2.900900      -1.039800      0.3664000    
 N   -3.416800      -1.806000      -1.692200    
 N   -3.716800       1.741300      0.7399000    
 C   -1.650500      -1.648800     -0.1201000    
 C  -0.4385000     -0.7050000      1.2500000E-02
 C   0.8651000      -1.401200     -0.4025000    
 C   -1.359000      -2.971200      0.6251000    
 C   6.9999998E-04  -3.579000      0.2570000    
 C   -1.983900      -1.927900      -1.606000    
 C    2.049200     -0.5113000     -0.2675000    
 C    2.410100      -3.205800      0.2546000    
 C    3.549400      -2.247800      0.6940000    
 C    3.291100     -0.8699000      0.2027000    
 C   -3.959400      -1.212700     -0.5452000    
 C   -3.050600     -0.4319000       1.676600    
 C    4.098400      0.2888000      0.1032000    
 C   -2.769100       1.061100       1.651200    
 C    3.272600       1.273300     -0.4434000    
 C    5.429600      0.6226000      0.4078000    
 C    3.687900       2.577200     -0.7092000    
 C    5.872300       1.927200      0.1511000    
 C    5.015500       2.884700     -0.3972000    
 C   -2.635500       4.133100       1.283600    
 H  -0.3327000     -0.3734000       1.053800    
 H  -0.5983000      0.2025000     -0.5840000    
 H   0.8055000      -1.707800      -1.455800    
 H   -2.151500      -3.705000      0.4298000    
 H   -1.372300      -2.799000       1.709000    
 H   0.1642000      -4.448400      0.9058000    
 H  -6.0000001E-03  -3.948200     -0.7755000    
 H   -1.563700      -1.174200      -2.280300    
 H   -1.692800      -2.919900      -1.960200    
 H    2.541400      -3.479900     -0.8010000    
 H    2.504200      -4.127100      0.8424000    
 H    4.507800      -2.619600      0.3156000    
 H    3.606300      -2.227900       1.789200    
 H   -3.959400      -2.026400      -2.521300    
 H   -4.082500     -0.5989000       2.007900    
 H   -2.390700     -0.9332000       2.390000    
 H   -2.902800       1.471600       2.657800    
 H   -1.742400       1.261800       1.340500    
 H    6.108300     -0.1103000      0.8337000    
 H   -4.688100       1.730400       1.078100    
 H    3.018700       3.315400      -1.134900    
 H    6.899500       2.197200      0.3825000    
 H    5.387800       3.888800     -0.5856000    
 H   -1.766400       3.661300       1.743600    
 H   -2.349300       5.110900      0.8887000    
 H   -3.448600       4.253800       2.002000    


%chk=000163952-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163952

0 1
S -3.013130 2.543219 0.037525
O 2.219574 0.887966 -0.570656
O -5.095490 -0.533973 0.382712
O -3.388146 1.783040 -1.362468
O -1.439440 2.796631 0.401902
N 1.099881 -2.614781 0.134183
N -2.763308 -0.806222 0.727892
N -3.606860 -1.403422 -1.272706
N -3.812184 1.809522 1.595098
C -1.596271 -1.401729 0.006075
C -0.310608 -0.563324 0.187388
C 0.899315 -1.266305 -0.478330
C -1.346104 -2.861043 0.493368
C -0.073855 -3.477342 -0.124249
C -2.141301 -1.373840 -1.467471
C 2.180260 -0.505705 -0.314242
C 2.395659 -3.247415 -0.231091
C 3.586864 -2.464732 0.375979
C 3.404623 -0.998800 0.078203
C -3.938989 -0.883964 -0.026084
C -2.826028 -0.475084 2.153850
C 4.321602 0.132448 0.097822
C -2.819901 1.057502 2.413058
C 3.557670 1.269834 -0.307514
C 5.693214 0.312581 0.405879
C 4.077282 2.564990 -0.420018
C 6.242038 1.609297 0.299919
C 5.448209 2.719820 -0.105893
C -3.901317 4.216729 0.017964
H -0.080927 -0.461069 1.264884
H -0.444760 0.452220 -0.225029
H 0.680746 -1.365466 -1.578140
H -2.226970 -3.484465 0.248048
H -1.227133 -2.853980 1.593256
H 0.111138 -4.467534 0.331189
H -0.225834 -3.649079 -1.223192
H -1.831638 -0.437708 -1.973109
H -1.794608 -2.243148 -2.050412
H 2.525852 -3.308490 -1.341798
H 2.386986 -4.281467 0.159044
H 4.535012 -2.844713 -0.051986
H 3.627165 -2.637727 1.469011
H -4.247677 -1.229250 -2.046603
H -3.758080 -0.906260 2.567413
H -1.972309 -0.939344 2.679976
H -3.064706 1.253301 3.475377
H -1.819152 1.490286 2.216452
H 6.315695 -0.531630 0.721692
H -4.569299 1.170434 1.236375
H 3.451976 3.406787 -0.729972
H 7.300163 1.768996 0.535105
H 5.905805 3.712538 -0.175447
H -3.685485 4.685458 0.985930
H -3.478765 4.770092 -0.832064
H -4.970051 4.000022 -0.112493


