%chk=000149730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149730

0 1
 S   -5.956600      0.5365000      -1.102800    
 O   -7.256700      0.1272000      -1.600600    
 O   -5.811100       1.045900      0.2464000    
 N   0.2515000     -0.4241000      0.9917000    
 N    4.050200      0.2982000     -0.6250000    
 N   -2.052000     -0.9520000       2.579700    
 N   -4.833300     -0.7334000      -1.405700    
 C    1.539600     -0.1792000      0.4438000    
 C    2.321100      -1.252200      3.8000001E-03
 C    2.014600       1.132800      0.3489000    
 C    3.587900     -0.9636000     -0.5313000    
 C    3.293500       1.328100     -0.1996000    
 C   -1.021000     -0.5045000      0.4104000    
 C   -2.160200     -0.7635000       1.183700    
 C    4.370800      -2.027700     -0.9712000    
 C    1.250700       2.230100      0.7832000    
 C    1.868900      -2.580700      8.7099999E-02
 C    3.771900       2.632100     -0.2968000    
 C    3.015300       3.724800      0.1338000    
 C   -1.160500     -0.3222000     -0.9712000    
 C   -3.417800     -0.8392000      0.5847000    
 C   -3.546500     -0.6564000     -0.7922000    
 C    1.752100       3.523700      0.6751000    
 C    3.924600      -3.349100     -0.8897000    
 C    2.671100      -3.626500     -0.3596000    
 C   -2.417800     -0.3978000      -1.570000    
 C    5.729500      -1.779100      -1.549700    
 C    3.564700       5.105700      1.1300000E-02
 C   -2.751400     -7.2400004E-02   3.493000    
 C   -1.251700      -2.035500       3.111700    
 C   -5.341300       1.774000      -2.222800    
 H   0.2401000     -0.2992000       1.999100    
 H   0.2609000       2.108600       1.215600    
 H   0.8959000      -2.833600      0.4996000    
 H    4.761900       2.802800     -0.7180000    
 H  -0.3009000     -0.1189000      -1.604700    
 H   -4.296600      -1.060200       1.186500    
 H    1.150600       4.361000       1.017500    
 H    4.544900      -4.171500      -1.235900    
 H    2.319700      -4.651500     -0.2932000    
 H   -2.506700     -0.2523000      -2.643400    
 H    5.654400      -1.144800      -2.439300    
 H    6.374300      -1.290800     -0.8113000    
 H    6.224100      -2.708600      -1.851900    
 H   -4.812800      -1.075700      -2.375800    
 H    2.763500       5.850900     -3.9600000E-02
 H    4.199300       5.335400      0.8730000    
 H    4.158600       5.211200     -0.9030000    
 H   -3.818800     -0.3138000       3.523900    
 H   -2.636600      0.9751000       3.192900    
 H   -2.357800     -0.1665000       4.511000    
 H   -1.821900      -2.585100       3.869000    
 H  -0.3454000      -1.652400       3.591400    
 H  -0.9630000      -2.759200       2.341500    
 H   -5.328700       1.364100      -3.234400    
 H   -6.018200       2.630500      -2.180600    
 H   -4.342400       2.081100      -1.909000    


%chk=000149730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149730

0 1
S -6.101179 0.145476 -1.130206
O -7.642831 -0.236272 -1.506446
O -5.748205 0.907788 0.278178
N 0.175868 -0.140408 0.921220
N 4.124761 0.358606 -0.694793
N -1.933182 -0.277254 2.605735
N -4.862731 -1.669900 -1.086501
C 1.460468 -0.001609 0.349025
C 2.153733 -1.102857 -0.252946
C 2.114031 1.268788 0.449555
C 3.489748 -0.852187 -0.791401
C 3.468160 1.388336 -0.072870
C -1.003079 -0.634909 0.358341
C -2.147421 -0.679778 1.238359
C 4.217793 -1.932749 -1.437291
C 1.497483 2.438882 1.015028
C 1.627717 -2.439747 -0.296423
C 4.153224 2.647258 0.045214
C 3.551131 3.761938 0.627981
C -1.156954 -0.975132 -1.016783
C -3.401086 -1.029959 0.722150
C -3.569921 -1.338575 -0.665991
C 2.194283 3.639700 1.104809
C 3.638373 -3.201505 -1.483194
C 2.355099 -3.461750 -0.897755
C -2.422858 -1.292036 -1.525383
C 5.585616 -1.657653 -2.020545
C 4.273328 5.089287 0.754957
C -3.090650 0.351963 3.285376
C -1.262606 -1.297510 3.461893
C -5.472079 1.350489 -2.513810
H -0.024071 0.360378 1.803360
H 0.456256 2.398348 1.354758
H 0.653864 -2.656076 0.151150
H 5.173030 2.690496 -0.350806
H -0.291149 -0.935630 -1.683293
H -4.285912 -1.067448 1.361676
H 1.703056 4.521809 1.533603
H 4.183797 -4.022632 -1.962774
H 1.949796 -4.479243 -0.921502
H -2.538459 -1.513572 -2.594136
H 5.537755 -0.855971 -2.779019
H 6.278321 -1.292707 -1.241342
H 6.009102 -2.566053 -2.482372
H -4.895082 -1.944274 -2.093168
H 3.720396 5.896057 0.237306
H 4.367546 5.392213 1.815266
H 5.287465 5.042395 0.324552
H -3.855390 -0.387123 3.613311
H -3.577718 1.071861 2.608165
H -2.729126 0.887909 4.181005
H -1.947326 -2.137650 3.712709
H -0.929243 -0.825398 4.403147
H -0.380101 -1.711828 2.946687
H -5.720096 0.884538 -3.477470
H -6.022864 2.287280 -2.349750
H -4.391381 1.472201 -2.355548


