%chk=000161600.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161600

1 1
 S    3.694800      -1.863000       2.055500    
 N   -6.671600       1.923700      0.2645000    
 N   -4.512500      -1.054600     -0.5604000    
 N    1.034400     -0.4046000     -0.1423000    
 N    1.481700      -1.127700      0.7781000    
 N    3.600200     -0.2129000      0.1350000    
 N    5.166600      -1.213600       1.593900    
 C   -5.660500       1.094000     -0.5138000    
 C   -5.430200     -0.2312000      0.1910000    
 C   -6.148400       2.171500       1.672100    
 C   -6.883500       3.256000     -0.4399000    
 C   -7.993500       1.173400      0.3393000    
 C   -5.059300      -2.089500      -1.439200    
 C   -3.124800     -0.8881000     -0.4521000    
 C   -5.206400      -3.394600     -0.6806000    
 C   -2.594700      9.9200003E-02  0.3859000    
 C   -2.256600      -1.708200      -1.181400    
 C   -1.213800      0.2642000      0.4933000    
 C  -0.8757000      -1.543200      -1.073800    
 C  -0.3544000     -0.5570000     -0.2366000    
 C  -0.6784000       1.328100       1.394900    
 C    2.875500     -0.9745000      0.8723000    
 C    4.898100     -0.3843000      0.5854000    
 C    5.959800      0.3483000     -5.4800000E-02
 C    5.665400       1.491200     -0.7944000    
 C    7.276400     -8.9199997E-02  6.8400003E-02
 C    6.693700       2.200700      -1.414800    
 C    8.304600      0.6204000     -0.5520000    
 C    8.013200       1.765400      -1.293500    
 H   -6.062200      0.9442000      -1.523700    
 H   -4.745200       1.689700     -0.6015000    
 H   -5.090900     -0.1391000       1.226100    
 H   -6.370300     -0.7867000      0.2685000    
 H   -5.121600       2.542900       1.606100    
 H   -6.787200       2.927800       2.140100    
 H   -6.205800       1.256200       2.265600    
 H   -7.257100       3.057400      -1.448800    
 H   -7.613100       3.841000      0.1281000    
 H   -5.924600       3.781100     -0.4817000    
 H   -8.264700      0.8346000     -0.6650000    
 H   -7.916100      0.3362000       1.037000    
 H   -8.753300       1.866700      0.7150000    
 H   -6.060800      -1.780500      -1.768000    
 H   -4.506600      -2.211900      -2.375800    
 H   -4.239000      -3.776700     -0.3399000    
 H   -5.844000      -3.272800      0.2015000    
 H   -5.661900      -4.155300      -1.322400    
 H   -3.224600      0.7606000      0.9712000    
 H   -2.590800      -2.505400      -1.835500    
 H  -0.2138000      -2.189900      -1.644200    
 H   3.4699999E-02   1.965200      0.8608000    
 H   -1.471800       1.983500       1.770500    
 H  -0.1817000      0.8782000       2.260600    
 H    4.647900       1.858600     -0.9018000    
 H    7.539200     -0.9812000      0.6314000    
 H    6.467400       3.093100      -1.991100    
 H    9.332100      0.2809000     -0.4594000    
 H    8.813900       2.317800      -1.776500    


%chk=000161600-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161600

1 1
S 3.965411 -2.539380 -1.869385
N -6.532800 2.124316 -0.060347
N -4.762504 -1.317170 -0.156552
N 0.870311 -0.554619 -0.376512
N 1.580949 -1.497744 -0.967506
N 3.708490 -0.295356 -0.479331
N 5.434841 -1.615326 -1.471438
C -5.834694 0.833582 -0.572947
C -5.605591 -0.297527 0.470355
C -5.639827 2.860251 0.938337
C -6.779557 3.036888 -1.264717
C -7.870735 1.788634 0.594428
C -5.425530 -2.572782 -0.600454
C -3.360935 -1.157992 -0.204642
C -5.362069 -3.705735 0.446283
C -2.722415 0.001814 0.338610
C -2.531074 -2.153815 -0.814261
C -1.326707 0.191219 0.284103
C -1.148626 -1.975311 -0.885183
C -0.522029 -0.811423 -0.348697
C -0.690175 1.426457 0.887534
C 2.958135 -1.268642 -0.990039
C 5.063245 -0.508805 -0.755413
C 6.089481 0.440504 -0.282516
C 5.700690 1.584875 0.463747
C 7.463614 0.216168 -0.566406
C 6.677964 2.493762 0.920184
C 8.434115 1.128556 -0.107164
C 8.045916 2.269280 0.636911
H -6.459527 0.453439 -1.399674
H -4.861089 1.151471 -0.983084
H -5.140281 0.087848 1.397182
H -6.563615 -0.762750 0.757468
H -4.677010 3.088322 0.456400
H -6.138076 3.794674 1.239353
H -5.477121 2.229674 1.823796
H -7.453799 2.527611 -1.969923
H -7.239660 3.975740 -0.919417
H -5.818368 3.249785 -1.756778
H -8.481762 1.208826 -0.114242
H -7.696543 1.202260 1.507960
H -8.387751 2.725966 0.851876
H -6.481432 -2.332574 -0.827826
H -4.978427 -2.900960 -1.555216
H -4.318452 -3.972801 0.683579
H -5.859985 -3.410530 1.387624
H -5.868589 -4.608909 0.061519
H -3.305444 0.774680 0.851222
H -2.965133 -3.067846 -1.226281
H -0.510920 -2.732082 -1.352321
H -0.126292 1.994970 0.127872
H -1.449007 2.087945 1.342971
H 0.047517 1.151622 1.660835
H 4.638222 1.741092 0.674496
H 7.750668 -0.669588 -1.141476
H 6.375705 3.375033 1.496457
H 9.492585 0.952741 -0.326983
H 8.803888 2.975765 0.992831


