%chk=000169977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169977

0 1
 S  -0.6337000       3.131800     -0.8110000    
 S   0.6340000       3.132100      0.8112000    
 N   -1.516200      0.6812000     -0.6456000    
 N    1.516600      0.6814000      0.6456000    
 N   -2.868800       2.395300      0.4001000    
 N    2.868800       2.395500     -0.4005000    
 C   -2.399000     -0.3403000     -0.2590000    
 C    2.399100     -0.3404000      0.2592000    
 C   -3.454100     -0.6950000      -1.094500    
 C    3.454200     -0.6950000       1.094500    
 C   -2.212900     -0.9913000      0.9569000    
 C    2.212700     -0.9915000     -0.9567000    
 C   -4.331000      -1.709700     -0.7106000    
 C    4.330900      -1.710000      0.7106000    
 C   -3.089600      -2.006000       1.340800    
 C    3.089200      -2.006400      -1.340600    
 C   -4.148700      -2.365100      0.5070000    
 C    4.148400      -2.365500     -0.5070000    
 C   -1.797900       1.899500     -0.2992000    
 C    1.798000       1.899600      0.2991000    
 H   -3.603100     -0.1900000      -2.045100    
 H    3.603600     -0.1898000       2.044900    
 H   -1.389800     -0.7183000       1.611900    
 H    1.389600     -0.7185000      -1.611700    
 H   -5.155500      -1.989400      -1.359900    
 H    5.155600      -1.989700       1.359700    
 H   -2.947500      -2.516600       2.288700    
 H    2.946900      -2.517100      -2.288600    
 H   -4.831300      -3.155200      0.8059000    
 H    4.830800      -3.155700     -0.8059000    
 H   -2.950700       3.387700      0.5929000    
 H   -3.609200       1.796000      0.7476000    
 H    3.609100       1.796200     -0.7483000    
 H    2.950600       3.388000     -0.5931000    


%chk=000169977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169977

0 1
S -0.823036 2.467648 -0.804004
S 0.823870 2.467592 0.803031
N -3.077829 1.096810 -0.960506
N 3.078204 1.096028 0.959985
N -1.767552 0.574929 1.020465
N 1.767751 0.573927 -1.020804
C -4.150233 0.176202 -0.876374
C 4.150303 0.175038 0.876170
C -5.456571 0.638819 -1.195057
C 5.456794 0.637344 1.194679
C -3.965377 -1.200251 -0.546699
C 3.964994 -1.201482 0.547024
C -6.555044 -0.243749 -1.154020
C 6.554974 -0.245602 1.153986
C -5.070881 -2.078369 -0.521905
C 5.070207 -2.079975 0.522576
C -6.371497 -1.606193 -0.814454
C 6.370979 -1.608117 0.814946
C -2.059960 1.194774 -0.171377
C 2.060353 1.194061 0.170844
H -5.582007 1.690215 -1.471756
H 5.582577 1.688803 1.470980
H -2.955809 -1.587076 -0.361742
H 2.955298 -1.588047 0.362218
H -7.556520 0.130116 -1.395091
H 7.556574 0.128023 1.394917
H -4.914025 -3.135903 -0.279496
H 4.913000 -3.137553 0.280585
H -7.226284 -2.290509 -0.790675
H 7.225539 -2.292726 0.791440
H -0.939524 0.855337 1.554039
H -2.450107 -0.057698 1.437570
H 2.450106 -0.059054 -1.437700
H 0.939833 0.854438 -1.554494


