%chk=000149809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149809

0 1
 S    5.404400      0.9698000       1.525200    
 O    1.508300      -1.059900      -2.494400    
 O    6.597800       1.770200       1.727300    
 O    4.482800      0.7320000       2.618500    
 O   0.1454000      -3.506300      -2.499600    
 N  -0.6430000     -0.2969000     -0.8481000    
 N   -4.277000      0.3872000       1.125200    
 N    4.574800       1.569400      0.1400000    
 C   -1.875300     -6.5099999E-02 -0.1789000    
 C   -2.268600     -0.9115000      0.8627000    
 C   -2.684100       1.007600     -0.5678000    
 C   0.6596000      0.1610000     -0.6108000    
 C   -3.494300     -0.6446000       1.495800    
 C   -3.893500       1.199400      0.1214000    
 C    1.721700     -0.2255000      -1.437800    
 C   -1.475600      -1.996800       1.274300    
 C   -2.313600       1.874000      -1.611000    
 C    3.253100       1.092900     -0.1135000    
 C   0.9092000       1.018700      0.4673000    
 C    3.013600      0.2388000      -1.189900    
 C   -3.891400      -1.483700       2.533600    
 C   -4.703000       2.265600     -0.2611000    
 C    2.200900       1.482900      0.7152000    
 C   -1.895300      -2.820600       2.314500    
 C   -3.140800       2.932600      -1.974000    
 C   -3.105800      -2.563100       2.945300    
 C   -4.338000       3.128500      -1.297400    
 C    2.212900      -2.299500      -2.492700    
 C    5.941200     -0.6106000      0.9102000    
 C    1.373500      -3.346600      -3.199200    
 H  -0.7370000     -0.9205000      -1.644600    
 H  -0.5262000      -2.229700      0.7990000    
 H   -1.386800       1.746500      -2.164200    
 H   0.1099000       1.342600       1.128900    
 H    3.835300     -5.6800000E-02  -1.838000    
 H   -4.835800      -1.302900       3.043600    
 H   -5.646100       2.440100      0.2536000    
 H    2.369300       2.158300       1.549800    
 H   -1.281600      -3.658900       2.629700    
 H   -2.853100       3.599600      -2.780800    
 H   -3.442800      -3.200000       3.757900    
 H   -4.991000       3.951400      -1.572900    
 H    5.152300       1.667500     -0.7059000    
 H    3.168000      -2.169800      -3.012500    
 H    2.404000      -2.626500      -1.462400    
 H    6.540700     -0.4579000      1.0900000E-02
 H    6.551200      -1.082000       1.684100    
 H    5.069200      -1.232700      0.7019000    
 H    1.893800      -4.308400      -3.227200    
 H    1.137900      -3.027700      -4.219300    
 H  -0.3688000      -4.179800      -2.976700    


%chk=000149809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149809

0 1
S 5.669891 1.806291 1.077017
O 1.584175 -1.256965 -2.602538
O 7.220071 2.073327 0.639855
O 5.002097 2.580741 2.341852
O -0.125173 -3.395564 -1.770527
N -0.408291 -0.668722 -0.776744
N -4.188615 0.241310 1.092172
N 4.476812 2.219354 -0.587789
C -1.637717 -0.337723 -0.150729
C -2.305070 -1.328403 0.641893
C -2.267590 0.935835 -0.345109
C 0.781868 0.060668 -0.711632
C -3.598489 -0.988003 1.227324
C -3.539623 1.179916 0.332074
C 1.850470 -0.280782 -1.608134
C -1.747710 -2.628049 0.911928
C -1.747679 1.959128 -1.213215
C 3.293878 1.455089 -0.638720
C 1.012910 1.114303 0.226530
C 3.086442 0.375478 -1.553080
C -4.291607 -1.977972 2.009735
C -4.178554 2.460990 0.175712
C 2.231554 1.802022 0.255039
C -2.445693 -3.556851 1.681355
C -2.405777 3.177537 -1.356257
C -3.735393 -3.234525 2.226859
C -3.624078 3.440512 -0.640824
C 2.075669 -2.633442 -2.355328
C 5.493208 -0.082318 1.472841
C 0.958482 -3.587168 -2.754565
H -0.347181 -1.593975 -1.247114
H -0.757867 -2.879954 0.519310
H -0.829424 1.771913 -1.775853
H 0.220380 1.387077 0.928890
H 3.871707 0.086687 -2.262938
H -5.262216 -1.690443 2.425158
H -5.118161 2.614194 0.715050
H 2.396962 2.621732 0.960735
H -2.003134 -4.537810 1.887920
H -1.996229 3.942165 -2.025097
H -4.270159 -3.978422 2.827613
H -4.120343 4.410322 -0.755780
H 5.155348 1.974675 -1.339107
H 2.971973 -2.819544 -2.978097
H 2.335078 -2.767140 -1.287411
H 5.938739 -0.628048 0.630123
H 6.058590 -0.217980 2.405425
H 4.421496 -0.283740 1.602854
H 1.328074 -4.632348 -2.728379
H 0.608557 -3.340889 -3.775997
H -0.930357 -3.912185 -2.019100


