%chk=000081640.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081640

0 1
 S   -4.945600     -0.8368000       1.061100    
 S    4.941500     -0.8528000      -1.060000    
 S   -4.264900       1.943900      1.7600000E-02
 S    4.275900       1.933100     -2.0500001E-02
 O  -2.0099999E-02  -3.903000      4.9000001E-03
 O   -6.066800      -1.726000      0.7926000    
 O   -4.831300     -0.2013000       2.366000    
 O    6.058000      -1.747700     -0.7902000    
 O    4.830700     -0.2185000      -2.365800    
 O   -3.551600       2.043700       1.275800    
 O   -5.293000       2.910300     -0.3190000    
 O    3.563100       2.034800      -1.278900    
 O    5.309100       2.894400      0.3147000    
 N   -4.905400      0.3688000     -0.1555000    
 N    4.907800      0.3547000      0.1548000    
 C   -3.486900      -1.744400      0.7475000    
 C    3.478100      -1.752100     -0.7451000    
 C   -3.080600       2.005000      -1.290200    
 C    3.091900       2.002500       1.287200    
 C   -2.291200      -1.377600       1.365100    
 C    2.284400      -1.379600      -1.363300    
 C   -3.517800      -2.836800     -0.1194000    
 C    3.502900      -2.843300      0.1235000    
 C   -1.157100      -3.195600      0.2490000    
 C    1.140400      -3.189900     -0.2445000    
 C   -1.126400      -2.103100       1.115900    
 C    1.115600      -2.098600      -1.113000    
 C   -2.352800      -3.562300     -0.3687000    
 C    2.334100      -3.562200      0.3738000    
 C   -3.460400       2.455900      -2.554400    
 C    3.474100       2.453100       2.550700    
 C   -1.765500       1.601200      -1.059900    
 C    1.774600       1.605400       1.057500    
 C   -2.525100       2.502800      -3.588300    
 C    2.539200       2.506600       3.584600    
 C  -0.8303000       1.648200      -2.093700    
 C   0.8396000       1.658900       2.091200    
 C   -1.210100       2.099000      -3.357900    
 C    1.221900       2.109500       3.354800    
 H   -5.624600      0.2661000     -0.8835000    
 H    5.626500      0.2492000      0.8830000    
 H   -2.244700     -0.5312000       2.044300    
 H    2.242400     -0.5340000      -2.043700    
 H   -4.434900      -3.136600     -0.6182000    
 H    4.418500      -3.147300      0.6228000    
 H  -0.2142000      -1.807200       1.627400    
 H   0.2041000      -1.799000      -1.623500    
 H   -2.382100      -4.410800      -1.046800    
 H    2.358200      -4.409900       1.052900    
 H   -4.480500       2.767600      -2.759700    
 H    4.495800       2.759700       2.755500    
 H   -1.453700       1.237600     -8.7200001E-02
 H    1.460900       1.242200      8.5299999E-02
 H   -2.821200       2.851500      -4.573300    
 H    2.837100       2.855100       4.569100    
 H   0.1922000       1.328700      -1.921000    
 H  -0.1846000       1.344500       1.918900    
 H  -0.4822000       2.133400      -4.163300    
 H   0.4943000       2.149000       4.160100    


%chk=000081640-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081640

0 1
S -5.495838 -1.311422 0.282895
S 5.478111 -1.321821 -0.292575
S -4.907503 1.667998 -1.006395
S 4.900314 1.658606 0.998513
O -0.010257 -3.812943 0.011413
O -6.558174 -2.460496 -0.168191
O -5.657996 -0.505545 1.678278
O 6.541010 -2.472462 0.153131
O 5.633027 -0.517643 -1.689805
O -3.525449 1.484885 -0.173042
O -6.098233 2.661048 -0.522919
O 3.510141 1.473846 0.179191
O 6.085772 2.651219 0.501376
N -5.559607 -0.137244 -1.269904
N 5.554641 -0.146276 1.258444
C -3.765129 -2.015345 0.154918
C 3.746840 -2.021942 -0.153678
C -4.488383 2.072095 -2.804307
C 4.500210 2.065047 2.800212
C -2.713531 -1.327201 0.781909
C 2.693976 -1.334629 -0.779408
C -3.614454 -3.237779 -0.521488
C 3.596603 -3.241201 0.528569
C -1.245314 -3.127461 0.038479
C 1.225544 -3.129305 -0.023068
C -1.426915 -1.900496 0.723064
C 1.406673 -1.905521 -0.713457
C -2.325226 -3.802854 -0.575682
C 2.306634 -3.803770 0.590153
C -5.419978 2.827377 -3.534141
C 5.437758 2.824893 3.517582
C -3.251968 1.635144 -3.304962
C 3.271382 1.624616 3.316312
C -5.083708 3.155374 -4.868493
C 5.116223 3.154094 4.855247
C -2.937105 1.976926 -4.640009
C 2.971235 1.967643 4.654430
C -3.851748 2.727797 -5.416950
C 3.892410 2.723129 5.419098
H -6.595254 -0.035476 -1.437996
H 6.591586 -0.044558 1.418274
H -2.891611 -0.380209 1.298815
H 2.871708 -0.390263 -1.301162
H -4.479122 -3.732894 -0.973845
H 4.462133 -3.736087 0.979519
H -0.585343 -1.403372 1.213231
H 0.564199 -1.409036 -1.202689
H -2.142150 -4.755266 -1.079904
H 2.123867 -4.753729 1.099091
H -6.353251 3.165536 -3.072248
H 6.364325 3.165313 3.043996
H -2.559568 1.070356 -2.673369
H 2.573620 1.055904 2.694203
H -5.780805 3.745960 -5.471360
H 5.818349 3.748182 5.448766
H -1.980875 1.660107 -5.068333
H 2.021376 1.648071 5.094709
H -3.598936 2.987826 -6.450284
H 3.651061 2.984056 6.454945


