%chk=000178433.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178433

0 1
 S   -1.427700      -2.483800      0.2476000    
 O   -2.221200       1.875500      0.1579000    
 O    1.269100       1.567400       2.056700    
 O    5.780000      -3.192700      -1.051600    
 O    5.601700      -3.288700       1.134200    
 N   -3.003200     -0.2495000      8.2400002E-02
 N   0.3360000       1.148200     -2.3800001E-02
 N   -4.092500      -2.218000      5.6100000E-02
 N    5.116300      -3.044600      3.1000001E-03
 C  -0.5686000      0.1034000      0.4072000    
 C  -0.2903000      -1.196000     -0.3585000    
 C   -1.954700      0.6813000      0.1754000    
 C    1.144200      -1.686800     -0.2621000    
 C   -2.923700      -1.627800      0.1216000    
 C   -4.360800      3.9200000E-02 -6.0100000E-02
 C   -4.998200      -1.201800     -6.4300001E-02
 C    1.898000      -1.857800      -1.421100    
 C    1.701100      -1.963900      0.9846000    
 C   -5.086500       1.234900     -0.1776000    
 C    1.187900       1.797600      0.8530000    
 C   -6.397600      -1.272400     -0.1853000    
 C    3.215400      -2.308200      -1.333000    
 C    3.018500      -2.414100       1.072500    
 C   -6.478100       1.147400     -0.2989000    
 C    3.775500      -2.586200     -8.6199999E-02
 C   -7.125500     -8.5600004E-02 -0.3020000    
 C    2.034500       2.864300      0.2592000    
 C    2.462300       3.900100       1.063500    
 C    2.365300       2.785000      -1.077400    
 C    3.257000       4.901800      0.5058000    
 C    3.160000       3.786600      -1.635200    
 C    3.605700       4.845000     -0.8434000    
 H  -0.4613000     -4.1600000E-02   1.489800    
 H  -0.5351000      -1.040400      -1.418200    
 H   0.2558000       1.450000     -0.9892000    
 H    1.475600      -1.643900      -2.399100    
 H    1.131900      -1.832900       1.900700    
 H   -4.606800       2.206800     -0.1777000    
 H   -6.907700      -2.230700     -0.1901000    
 H    3.775300      -2.430100      -2.256800    
 H    3.422300      -2.619500       2.060600    
 H   -7.062700       2.059300     -0.3914000    
 H   -8.207200     -0.1264000     -0.3971000    
 H    2.195400       3.961800       2.114200    
 H    2.070500       1.960800      -1.718500    
 H    3.603500       5.726500       1.121900    
 H    3.439000       3.738400      -2.683800    
 H    4.225900       5.624000      -1.277200    


%chk=000178433-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178433

0 1
S -1.389187 -2.480465 0.583428
O -2.243292 1.834237 -0.633155
O 1.301397 1.306260 1.918419
O 5.657017 -3.706788 -1.143065
O 5.785405 -3.062863 1.041522
N -3.063336 -0.258855 -0.033484
N 0.349640 1.229514 -0.203516
N -4.143469 -2.245238 0.436447
N 5.154693 -3.174820 -0.078686
C -0.604674 0.204070 0.205077
C -0.300358 -1.207215 -0.385784
C -2.023540 0.674170 -0.193988
C 1.133047 -1.684443 -0.284498
C -2.965124 -1.652117 0.328170
C -4.465268 0.002681 -0.170291
C -5.107245 -1.234890 0.149338
C 1.732455 -2.297335 -1.416086
C 1.874559 -1.574673 0.921680
C -5.184075 1.160142 -0.515509
C 1.239258 1.765747 0.733075
C -6.511287 -1.335197 0.134522
C 3.051001 -2.786711 -1.361128
C 3.193047 -2.061364 0.995008
C -6.595230 1.044242 -0.524936
C 3.762539 -2.660011 -0.149358
C -7.247358 -0.177668 -0.206883
C 2.101109 2.899481 0.263379
C 2.702271 3.720452 1.252219
C 2.352251 3.162221 -1.109508
C 3.523274 4.802222 0.874999
C 3.178213 4.243365 -1.484719
C 3.760190 5.069042 -0.494644
H -0.547984 0.138880 1.313550
H -0.639819 -1.266125 -1.435293
H 0.087317 1.802625 -1.010556
H 1.161199 -2.393413 -2.346394
H 1.437149 -1.085334 1.796654
H -4.678395 2.095015 -0.762245
H -7.000835 -2.281518 0.380349
H 3.530646 -3.259198 -2.221896
H 3.782160 -1.979989 1.911740
H -7.197425 1.921100 -0.785459
H -8.341355 -0.221687 -0.227526
H 2.513238 3.488102 2.305214
H 1.943826 2.507852 -1.888487
H 3.979461 5.434986 1.643663
H 3.376320 4.435704 -2.544561
H 4.400876 5.907707 -0.788399


