%chk=000178428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178428

0 1
 S    2.565600      -2.200600     -0.2080000    
 O    2.880800       2.232600      2.2299999E-02
 O  -0.4600000       1.603200      -2.033600    
 O   -4.551300      -3.639800      0.9434000    
 O   -4.331600      -3.665700      -1.240700    
 N    3.883800      0.1477000      7.5900003E-02
 N   0.4278000       1.242300      7.7699997E-02
 N    5.165700      -1.751500      0.1150000    
 N   -3.890000      -3.401300     -9.6100003E-02
 C    1.455000      0.3092000     -0.3304000    
 C    1.298700      -1.032500      0.3995000    
 C    2.782200       1.005000     -3.2699998E-02
 C    5.210600      0.6460000      0.3062000    
 C    3.981700      -1.237100      9.8000001E-03
 C  -7.8100003E-02  -1.661400      0.2675000    
 C    6.080600     -0.5972000      0.2634000    
 C  -0.8282000      -1.934100       1.409200    
 C  -0.5857000      -1.962900     -0.9944000    
 C  -0.4532000       1.816200     -0.8240000    
 C   -2.092500      -2.511200       1.288500    
 C   -1.849900      -2.539800      -1.115100    
 C   -2.603300      -2.814000      2.6400000E-02
 C   -1.432700       2.774700     -0.2503000    
 C   -1.935600       3.775300      -1.055700    
 C   -1.807500       2.633600       1.069600    
 C   -2.855100       4.675300     -0.5168000    
 C   -2.727000       3.533600       1.608400    
 C   -3.250600       4.554500      0.8152000    
 H    1.407500      0.1737000      -1.418300    
 H    1.511200     -0.8791000       1.466200    
 H    5.244000       1.143200       1.281500    
 H    5.479400       1.377400     -0.4629000    
 H    6.771200     -0.5662000     -0.5861000    
 H    6.671200     -0.7000000       1.179600    
 H   0.4364000       1.531600       1.050100    
 H  -0.4440000      -1.702500       2.398800    
 H  -1.8500000E-02  -1.753800      -1.897300    
 H   -2.651200      -2.710200       2.199400    
 H   -2.216300      -2.760900      -2.114300    
 H   -1.634100       3.886300      -2.092900    
 H   -1.452300       1.832700       1.709600    
 H   -3.262400       5.470800      -1.134100    
 H   -3.041900       3.434800       2.643300    
 H   -3.967800       5.254200       1.234300    


%chk=000178428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178428

0 1
S 2.530449 -2.232594 -0.439264
O 2.919773 2.124186 0.827054
O -0.535652 1.270702 -1.845052
O -4.417281 -4.197445 0.905311
O -4.507216 -3.543679 -1.278102
N 3.932966 0.129340 0.239229
N 0.418205 1.303527 0.280226
N 5.229904 -1.725952 -0.260602
N -3.922700 -3.601829 -0.128898
C 1.467355 0.365299 -0.109879
C 1.271013 -1.070721 0.465275
C 2.824058 0.949750 0.357619
C 5.319021 0.609809 0.528311
C 4.021333 -1.249441 -0.149795
C -0.097171 -1.696098 0.287760
C 6.181245 -0.595826 0.020600
C -0.683825 -2.382312 1.383728
C -0.786161 -1.652255 -0.953269
C -0.510886 1.747769 -0.664930
C -1.938222 -3.008252 1.259686
C -2.040542 -2.274266 -1.095662
C -2.598784 -2.943962 0.014404
C -1.466983 2.811361 -0.210229
C -2.143120 3.558505 -1.209056
C -1.731785 3.077338 1.159382
C -3.053115 4.571605 -0.845303
C -2.646253 4.089640 1.521374
C -3.304179 4.842669 0.521025
H 1.458159 0.303669 -1.218058
H 1.554796 -1.094759 1.532085
H 5.431768 0.799232 1.609857
H 5.504131 1.553113 -0.009615
H 6.728367 -0.353546 -0.908196
H 6.917902 -0.928419 0.770273
H 0.654149 1.929236 1.057893
H -0.152609 -2.427138 2.341211
H -0.363366 -1.104845 -1.800210
H -2.406893 -3.538784 2.092216
H -2.589697 -2.242872 -2.039829
H -1.940603 3.323459 -2.258982
H -1.260803 2.476530 1.945929
H -3.567456 5.147822 -1.621810
H -2.853081 4.284538 2.579148
H -4.013609 5.627996 0.804245


