%chk=000159459.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159459

0 1
 S   -1.659900      0.8456000     -0.1733000    
 S    1.221400       1.485200      0.1693000    
 O   -1.939000       1.311300       1.171200    
 O   -1.719900       1.743700      -1.309900    
 O    4.744800      -1.560500     -0.1603000    
 N   -2.615600     -0.5279000     -0.5127000    
 N   0.4336000     -0.8964000     -0.3545000    
 N    1.812700     -0.9700000     -0.2640000    
 N    3.668400      0.5188000      0.1652000    
 C   -3.968900     -0.5970000      0.1063000    
 C   -4.715500      -1.782300     -0.5075000    
 C   -3.795900     -0.7962000       1.612900    
 C   -4.701500      0.7132000     -0.1853000    
 C   5.0799999E-02  0.3106000     -0.1485000    
 C    2.347500      0.2019000      4.8000002E-03
 C    4.764400     -0.3572000      7.5999998E-02
 C    6.072600      0.3570000      0.3102000    
 H   -2.579700     -0.8714000      -1.481700    
 H   -4.178600      -2.721300     -0.3306000    
 H   -5.720800      -1.883700     -8.4100001E-02
 H   -4.820200      -1.666600      -1.592600    
 H   -3.616100      0.1273000       2.167300    
 H   -2.984500      -1.497500       1.838700    
 H   -4.713500      -1.213000       2.047000    
 H   -4.696700      0.9401000      -1.258000    
 H   -5.750200      0.6392000      0.1271000    
 H   -4.288800       1.580200      0.3379000    
 H    3.854400       1.497500      0.3693000    
 H    6.216700       1.123300     -0.4566000    
 H    6.899600     -0.3566000      0.2603000    
 H    6.067500      0.8254000       1.298500    


%chk=000159459-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159459

0 1
S -1.818459 1.124707 0.950673
S 1.395979 1.214440 1.523772
O -1.861284 1.206754 2.567162
O -2.324092 2.420294 0.101162
O 4.204500 -1.515253 -0.893769
N -2.463289 -0.533563 0.378550
N 0.286413 0.190580 -0.684125
N 1.667230 0.081638 -0.927841
N 3.785017 0.558192 0.145575
C -3.953040 -0.633817 0.135012
C -4.160481 -2.162144 -0.053249
C -4.705775 -0.140845 1.390774
C -4.405058 0.140618 -1.131482
C 0.003457 0.747163 0.478039
C 2.397685 0.558212 0.085323
C 4.642627 -0.464153 -0.383022
C 6.120597 -0.111659 -0.267294
H -1.912916 -0.722608 -0.489626
H -3.845206 -2.709939 0.850168
H -5.231475 -2.361203 -0.239866
H -3.587063 -2.547246 -0.916793
H -4.621215 0.954194 1.513669
H -4.309334 -0.622237 2.300310
H -5.778219 -0.384899 1.294246
H -3.876841 -0.227986 -2.031297
H -5.489140 0.000810 -1.293214
H -4.200608 1.219948 -1.026223
H 4.236236 1.331902 0.638233
H 6.428610 0.475812 -1.152090
H 6.707216 -1.042070 -0.257220
H 6.357027 0.477058 0.636843


