%chk=000157251.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157251

0 1
 S    3.359100     -0.1450000      -1.037900    
 N  -0.3728000     -0.3815000     -0.2186000    
 N   -3.427600      -2.415100      0.3198000    
 N   0.3201000       1.843700     -0.7137000    
 C   -1.244900      -1.316100      0.4517000    
 C   0.7073000     -0.9077000      -1.055100    
 C   -2.537700      -1.467800     -0.3395000    
 C  -0.5341000       1.003600     -7.1999997E-02
 C    2.042200     -0.9824000     -0.3640000    
 C   -1.576400       1.453900      0.7342000    
 C    2.351300      -1.659500      0.7762000    
 C   -4.680300      -2.546900     -0.4110000    
 C    3.723600      -1.490400       1.120100    
 C   -1.749500       2.824900      0.8888000    
 C    4.388200     -0.6893000      0.2177000    
 C   0.1207000       3.169500     -0.5397000    
 C  -0.8891000       3.705900      0.2430000    
 H   -1.417100      -1.052200       1.502400    
 H  -0.7597000      -2.300700      0.5057000    
 H   0.7669000     -0.3363000      -1.991200    
 H   0.4516000      -1.925800      -1.381300    
 H   -2.298800      -1.829600      -1.348000    
 H   -3.046300     -0.5055000     -0.4625000    
 H   -3.624000      -2.096600       1.268400    
 H   -2.273200      0.8162000       1.263100    
 H    1.649000      -2.251500       1.348400    
 H   -5.220200      -1.595600     -0.4597000    
 H   -5.323400      -3.272300      9.6900001E-02
 H   -4.509600      -2.914900      -1.428000    
 H    4.199200      -1.934000       1.985100    
 H   -2.552600       3.207200       1.511800    
 H    5.428900     -0.3979000      0.2358000    
 H   0.8187000       3.813700      -1.064200    
 H   -1.005000       4.778400      0.3494000    


%chk=000157251-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157251

0 1
S 2.972930 0.166013 0.538594
N -0.402037 -0.007183 -0.253659
N -3.161967 -2.463208 0.624082
N 0.252403 2.180451 -0.836483
C -1.175070 -0.987415 0.522419
C 0.694363 -0.525688 -1.107566
C -2.477538 -1.437368 -0.184571
C -0.626006 1.365479 -0.159144
C 1.900645 -1.004285 -0.336041
C -1.711085 1.915741 0.601248
C 2.361744 -2.303743 -0.170539
C -4.335082 -3.081387 -0.022829
C 3.555165 -2.410833 0.636308
C -1.853521 3.312094 0.663301
C 4.010791 -1.187738 1.099501
C 0.080345 3.527210 -0.768395
C -0.945972 4.152841 -0.029461
H -1.408063 -0.576319 1.524843
H -0.543310 -1.876893 0.693813
H 0.968136 0.288607 -1.799114
H 0.309733 -1.380159 -1.697993
H -2.216924 -1.887940 -1.162430
H -3.113114 -0.543836 -0.407286
H -3.379320 -2.120547 1.569600
H -2.428263 1.271226 1.115635
H 1.858541 -3.164685 -0.620653
H -5.126718 -2.356538 -0.333597
H -4.791755 -3.817600 0.661968
H -4.010374 -3.626120 -0.928751
H 4.050088 -3.358103 0.863934
H -2.676558 3.744970 1.243194
H 4.874718 -0.968940 1.724934
H 0.809651 4.121945 -1.331679
H -1.032077 5.242352 -0.001082


