%chk=000152851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152851

0 1
 S   -3.711700       1.448600      0.6555000    
 S    3.712700       1.444400      0.6562000    
 N   -4.776000     -0.7369000      -1.266500    
 N    4.771500     -0.7401000      -1.270200    
 C  -1.6000000E-03  -2.141100       1.500600    
 C   -1.252200      -1.763500      0.7816000    
 C    1.268500      -1.757800      0.7681000    
 C   -1.836900     -0.5169000       1.004800    
 C    1.834400     -0.5181000       1.003400    
 C   -3.006400     -0.1645000      0.3311000    
 C    3.003800     -0.1666000      0.3291000    
 C   -1.837000      -2.657700     -0.1153000    
 C    1.831500      -2.658300     -0.1178000    
 C   -3.591000      -1.058700     -0.5658000    
 C    3.587100      -1.061100     -0.5685000    
 C   -2.357400       2.543300      0.1490000    
 C    2.360200       2.543000      0.1537000    
 C   -3.006400      -2.305300     -0.7889000    
 C    3.000700      -2.306900     -0.7919000    
 C   -2.011600       2.290500      -1.313500    
 C   -2.755400       3.995700      0.3834000    
 C    2.761300       3.993900      0.3910000    
 C    2.012100       2.294100      -1.308900    
 H   4.8000002E-03  -1.691200       2.503400    
 H   4.1000000E-03  -3.222000       1.699300    
 H   -1.376700      0.1655000       1.715800    
 H    1.372700      0.1610000       1.715400    
 H   -1.392600      -3.632300     -0.2985000    
 H    1.382900      -3.630800     -0.2979000    
 H   -1.476000       2.336000      0.7653000    
 H    1.479100       2.335900      0.7706000    
 H   -3.450900      -3.012300      -1.484900    
 H    3.443800      -3.014100      -1.488500    
 H   -1.259100       3.012000      -1.651400    
 H   -1.582800       1.297200      -1.478400    
 H   -2.883500       2.406200      -1.967700    
 H   -1.934000       4.665900      0.1060000    
 H   -2.984200       4.181800       1.438700    
 H   -3.628500       4.280900     -0.2145000    
 H    1.940900       4.666400      0.1160000    
 H    2.991700       4.177100       1.446400    
 H    3.634300       4.278800     -0.2072000    
 H    1.260500       3.017800      -1.644200    
 H    1.581300       1.302000      -1.475500    
 H    2.883400       2.409700      -1.963900    
 H   -5.212400      0.1643000      -1.124700    
 H   -5.180100      -1.399700      -1.914600    
 H    5.210100      0.1599000      -1.126800    
 H    5.175600      -1.403800      -1.917300    


%chk=000152851-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152851

0 1
S -4.465539 0.954287 1.456723
S 3.555302 1.607623 -0.204539
N -4.384058 0.284712 -1.558522
N 5.358990 -0.889574 -0.410775
C -0.012736 -2.076048 1.437677
C -1.147410 -1.430135 0.645649
C 1.392580 -1.770571 0.918336
C -2.131127 -0.638315 1.283116
C 1.788525 -0.444675 0.612312
C -3.199588 -0.053905 0.566718
C 3.090422 -0.142708 0.165687
C -1.273503 -1.629569 -0.755436
C 2.362137 -2.793928 0.768011
C -3.329391 -0.270263 -0.841522
C 4.069713 -1.179397 0.023088
C -3.514302 2.627854 1.657771
C 2.716832 1.830757 -1.933831
C -2.337935 -1.073128 -1.484538
C 3.672740 -2.512693 0.335829
C -3.269337 3.297235 0.298042
C -4.343594 3.491176 2.622625
C 2.755249 3.334296 -2.252740
C 3.402414 0.963647 -2.999490
H -0.096132 -1.750843 2.494655
H -0.145276 -3.177072 1.449240
H -2.078543 -0.473824 2.366592
H 1.066550 0.372905 0.723355
H -0.520998 -2.232323 -1.278720
H 2.088872 -3.831788 0.998569
H -2.554149 2.340439 2.122684
H 1.676751 1.493813 -1.775495
H -2.416352 -1.252454 -2.564312
H 4.402170 -3.325517 0.231178
H -2.660167 4.213138 0.431972
H -2.729557 2.622663 -0.388881
H -4.226299 3.585072 -0.174390
H -3.832491 4.457318 2.793858
H -4.478988 2.992273 3.598198
H -5.342888 3.707433 2.201216
H 2.266494 3.522990 -3.227264
H 2.231219 3.924901 -1.481017
H 3.797109 3.698660 -2.321449
H 2.861169 1.049303 -3.962683
H 3.412030 -0.099824 -2.704254
H 4.445733 1.291784 -3.160082
H -5.083676 0.827373 -1.052312
H -4.495934 0.104830 -2.551213
H 5.599753 0.081743 -0.607405
H 6.061814 -1.617471 -0.491132


