%chk=000118432.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118432

0 1
 S   -1.568200      -1.355100     -0.6469000    
 S    1.566500       1.346100     -0.6540000    
 O   -7.197500      0.8381000      -1.011900    
 O    7.197800     -0.8304000      -1.011400    
 N   -6.830500      -1.204400     -3.8400002E-02
 N    6.823100       1.211600     -3.9500002E-02
 N   -1.274100       1.239500     -0.6535000    
 N    1.272500      -1.248500     -0.6468000    
 C   -5.715300      0.9350000      0.8795000    
 C    5.716400     -0.9313000      0.8805000    
 C   -4.210000      0.5718000      0.7813000    
 C    4.209700     -0.5739000      0.7823000    
 C   -3.629000      0.4828000     -0.6515000    
 C    3.657400     -0.4960000     -0.6504000    
 C   -5.848400       2.458600      0.5883000    
 C   -6.237200      0.7475000       2.317800    
 C    5.855200      -2.454600      0.5905000    
 C    6.237700     -0.7405000       2.318600    
 C   -6.632700      0.1760000     -0.1273000    
 C    6.630700     -0.1697000     -0.1271000    
 C   -2.164400      0.2686000     -0.6509000    
 C    2.162700     -0.2775000     -0.6494000    
 C   3.3900000E-02 -0.6866000     -0.6484000    
 C  -3.5399999E-02  0.6777000     -0.6520000    
 C   -6.183200      -2.142700      0.8709000    
 C   -7.715300      -1.846700      -1.009000    
 C    6.172400       2.148100      0.8692000    
 C    7.705300       1.856500      -1.010700    
 H   -3.992800     -0.3674000       1.297200    
 H   -3.632200       1.320100       1.343700    
 H    3.987200      0.3665000       1.293200    
 H    3.632300      -1.323000       1.343700    
 H   -4.135400     -0.3135000      -1.209700    
 H   -3.837700       1.413500      -1.191200    
 H    4.153500      0.3039000      -1.211900    
 H    3.857300      -1.429300      -1.188300    
 H   -5.231700       3.052600       1.272800    
 H   -6.885900       2.794700      0.7057000    
 H   -5.542200       2.708500     -0.4332000    
 H   -5.766100       1.463600       3.001900    
 H   -7.320800      0.9078000       2.364300    
 H   -6.042500     -0.2419000       2.733200    
 H    5.238000      -3.050100       1.273200    
 H    6.893400      -2.787000      0.7127000    
 H    5.555000      -2.707600     -0.4318000    
 H    5.770600      -1.458900       3.003000    
 H    7.322300     -0.8951000       2.364900    
 H    6.037800      0.2479000       2.733700    
 H   -5.720000      -2.939100      0.2795000    
 H   -5.413600      -1.705500       1.490500    
 H   -6.950400      -2.579100       1.517700    
 H   -8.436100      -2.471100     -0.4722000    
 H   -8.265800      -1.123900      -1.615900    
 H   -7.110400      -2.473200      -1.671500    
 H    5.705300       2.941900      0.2772000    
 H    5.405100       1.708300       1.489800    
 H    6.938100       2.588400       1.515000    
 H    8.424000       2.483900     -0.4746000    
 H    8.258200       1.135300      -1.617400    
 H    7.098000       2.480400      -1.673500    


%chk=000118432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118432

0 1
S -1.703831 -1.276481 -0.502933
S 1.702514 1.314614 -0.358290
O -7.188106 1.029581 -1.046653
O 7.192043 -1.053402 -1.032220
N -6.740792 -1.131812 -0.370604
N 6.744338 1.114754 -0.378147
N -1.202780 1.383985 -0.382312
N 1.201803 -1.346945 -0.462823
C -5.868797 0.873550 1.021745
C 5.866830 -0.876775 1.030702
C -4.335312 0.559753 0.962793
C 4.335772 -0.550118 0.976318
C -3.673501 0.880550 -0.409270
C 3.672549 -0.844333 -0.400435
C -6.062805 2.414703 0.947825
C -6.460872 0.406025 2.385398
C 6.046080 -2.419965 0.962004
C 6.469023 -0.409101 2.389872
C -6.642409 0.253748 -0.193958
C 6.644172 -0.269100 -0.188872
C -2.216266 0.529219 -0.436210
C 2.215475 -0.491750 -0.424010
C -0.009072 -0.683459 -0.446362
C 0.007756 0.720074 -0.390093
C -6.212624 -2.209116 0.481641
C -7.539475 -1.629453 -1.511649
C 6.215595 2.200582 0.462585
C 7.543112 1.601047 -1.523930
H -4.131424 -0.496851 1.216253
H -3.837278 1.163712 1.746225
H 4.139907 0.503674 1.247249
H 3.833434 -1.162250 1.750542
H -4.208909 0.341074 -1.213229
H -3.753012 1.959252 -0.626819
H 4.209165 -0.289754 -1.193760
H 3.750535 -1.918412 -0.640377
H -5.488211 2.896279 1.761329
H -7.127558 2.679751 1.059232
H -5.737263 2.825507 -0.020434
H -5.983456 0.974954 3.205049
H -7.545898 0.612084 2.422856
H -6.311367 -0.665544 2.595481
H 5.479637 -2.892045 1.786708
H 7.109906 -2.694026 1.058003
H 5.701251 -2.833181 0.001313
H 5.981643 -0.961293 3.215113
H 7.549909 -0.635729 2.427760
H 6.340858 0.667164 2.590454
H -5.760856 -2.990704 -0.158684
H -5.438490 -1.854131 1.170133
H -7.021353 -2.683088 1.074547
H -8.366040 -2.270882 -1.149085
H -7.951339 -0.765293 -2.052075
H -6.905342 -2.224765 -2.196603
H 5.745888 2.966706 -0.183741
H 5.456167 1.849005 1.168815
H 7.027841 2.692920 1.035345
H 8.372639 2.242158 -1.167589
H 7.951197 0.731369 -2.058365
H 6.910000 2.193567 -2.212257


