%chk=000171428.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171428

0 1
 S   0.9395000      -1.548300     -0.4189000    
 S  -0.9462000      -1.543200      0.3979000    
 O    3.889300      -1.788300       1.739500    
 O   -3.898800      -1.782100      -1.743500    
 N    5.881100      0.2505000     -0.5366000    
 N   -5.877300      0.2514000      0.5489000    
 C    3.204500     -9.6000001E-02  0.1911000    
 C   -3.212000     -9.2699997E-02 -0.1929000    
 C    1.776200     -0.2917000      0.5922000    
 C   -1.779000     -0.2886000     -0.6045000    
 C    3.549300      0.8429000     -0.7748000    
 C   -3.544100      0.8430000      0.7751000    
 C    4.196400     -0.8619000      0.7936000    
 C   -4.200300     -0.8580000     -0.7936000    
 C    5.507700     -0.6522000      0.3981000    
 C   -5.509300     -0.6489000     -0.3900000    
 C    4.889500      0.9763000      -1.100100    
 C   -4.882400      0.9759000       1.108500    
 C    6.612600      -1.446100       1.014000    
 C   -6.617900      -1.441300      -1.001400    
 C    2.560500       1.674300      -1.442200    
 C   -2.551300       1.672700       1.438900    
 C    2.750100       2.927500      -1.904800    
 C   -2.738100       2.924700       1.905500    
 H    1.724100     -0.6022000       1.642800    
 H    1.220900      0.6520000      0.5530000    
 H   -1.735000     -0.5954000      -1.656600    
 H   -1.225500      0.6562000     -0.5665000    
 H    5.240900       1.675000      -1.853500    
 H   -5.229300       1.672700       1.865600    
 H    6.478700      -2.515000      0.8186000    
 H    7.580700      -1.155700      0.5911000    
 H    6.662300      -1.270700       2.093400    
 H   -6.483000      -2.510500     -0.8094000    
 H   -7.583500      -1.151800     -0.5723000    
 H   -6.673800      -1.263300      -2.080100    
 H    1.578300       1.241600      -1.609600    
 H   -1.568100       1.239500       1.599700    
 H    4.684100      -2.239400       2.063300    
 H   -4.695600      -2.232200      -2.063900    
 H    1.938200       3.449000      -2.401200    
 H    3.688700       3.458000      -1.790900    
 H   -1.923300       3.445000       2.398500    
 H   -3.677200       3.455700       1.798200    


%chk=000171428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171428

0 1
S 1.026207 -1.399407 -0.479751
S -1.027612 -1.398268 0.481013
O 3.968880 -1.506690 1.942338
O -3.969342 -1.501523 -1.942274
N 6.114536 0.117139 -0.617256
N -6.114621 0.122909 0.617253
C 3.367897 -0.012443 0.151493
C -3.367799 -0.008816 -0.150333
C 1.939382 -0.097217 0.616832
C -1.939153 -0.094590 -0.615170
C 3.773158 0.786730 -0.964029
C -3.772766 0.790105 0.965461
C 4.375179 -0.732169 0.845747
C -4.375414 -0.727219 -0.845451
C 5.741178 -0.642698 0.454031
C -5.741500 -0.636708 -0.454278
C 5.155564 0.798336 -1.300158
C -5.155326 0.802837 1.300959
C 6.824752 -1.387655 1.206007
C -6.825446 -1.380252 -1.207114
C 2.783005 1.548456 -1.757480
C -2.782252 1.550453 1.759761
C 3.041726 2.681334 -2.467445
C -3.040246 2.682968 2.470576
H 1.872813 -0.463502 1.649445
H 1.403663 0.856730 0.502845
H -1.872511 -0.460346 -1.647962
H -1.402618 0.858800 -0.500405
H 5.502898 1.357217 -2.175251
H -5.502577 1.361645 2.176132
H 6.675106 -2.486322 1.181828
H 7.791312 -1.171234 0.726559
H 6.893671 -1.072165 2.266788
H -6.676820 -2.479069 -1.183504
H -7.792004 -1.163217 -0.727939
H -6.893637 -1.064092 -2.267742
H 1.763859 1.137234 -1.776117
H -1.763425 1.138436 1.778327
H 4.738524 -1.981538 2.343303
H -4.739242 -1.975466 -2.343822
H 2.257666 3.169583 -3.055915
H 4.028671 3.158770 -2.470747
H -2.255935 3.170118 3.059619
H -4.026802 3.161205 2.474028


