%chk=000130176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130176

0 1
 S    2.462300      0.4441000       1.550600    
 N    1.533200      -2.402600      0.3821000    
 N   -2.627900      -2.154600     -0.3674000    
 C   0.7684000      -1.179000      0.1073000    
 C  -0.4086000      -1.030800       1.106400    
 C    1.685100      3.5799999E-02  0.1036000    
 C   -1.535300     -0.1947000      0.5926000    
 C    1.964700      0.8526000     -0.9365000    
 C   -2.592800     -0.7655000     -0.1157000    
 C   -1.517500       1.179400      0.8320000    
 C    2.869000       1.880000     -0.5405000    
 C    2.560600      -2.597100     -0.6257000    
 C    1.422200      0.7242000      -2.310200    
 C    3.220800       1.775900      0.7873000    
 C   -3.632500      3.7799999E-02 -0.5843000    
 C   -2.557200       1.982600      0.3632000    
 C   -3.614500       1.411900     -0.3450000    
 H   0.3276000      -1.296000     -0.8923000    
 H  -0.7917000      -2.020300       1.387600    
 H  -7.4699998E-02 -0.6269000       2.071200    
 H   0.8999000      -3.202100      0.3725000    
 H  -0.7049000       1.641100       1.386100    
 H    3.246500       2.659100      -1.190800    
 H    3.024900      -3.576800     -0.4682000    
 H    3.371100      -1.865100     -0.5609000    
 H    2.149200      -2.598200      -1.640800    
 H    1.790200       1.522900      -2.962800    
 H    1.717600     -0.2308000      -2.756400    
 H   0.3287000      0.7816000      -2.301700    
 H    3.886900       2.418500       1.345600    
 H   -4.462700     -0.3938000      -1.137600    
 H   -2.543800       3.052300      0.5504000    
 H   -4.424000       2.037400     -0.7097000    
 H   -1.833900      -2.747300     -0.1738000    
 H   -3.403100      -2.539600     -0.8921000    


%chk=000130176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130176

0 1
S 2.897243 0.274499 1.297039
N 1.708377 -2.465574 0.632824
N -2.348697 -1.992261 -0.890715
C 0.863637 -1.359819 0.126160
C -0.350382 -1.174677 1.105042
C 1.673695 -0.090289 0.000795
C -1.417446 -0.235834 0.572335
C 1.597584 0.934298 -0.936312
C -2.364287 -0.675203 -0.409851
C -1.471569 1.107877 1.009638
C 2.509070 2.025373 -0.641508
C 2.740116 -2.964829 -0.294566
C 0.655372 0.969246 -2.122725
C 3.263784 1.841990 0.501815
C -3.326857 0.244664 -0.915053
C -2.422224 2.023419 0.504624
C -3.352048 1.579437 -0.464717
H 0.451218 -1.582420 -0.890920
H -0.777396 -2.181760 1.315329
H 0.050579 -0.801938 2.063916
H 1.145489 -3.219406 1.045293
H -0.739431 1.441033 1.754995
H 2.591119 2.912712 -1.276369
H 3.310212 -3.776127 0.191505
H 3.448434 -2.150923 -0.528393
H 2.334236 -3.347965 -1.262323
H 1.130154 1.471099 -2.985355
H 0.347189 -0.041787 -2.440839
H -0.269085 1.524533 -1.874295
H 4.025709 2.490578 0.931165
H -4.053508 -0.094116 -1.664924
H -2.438927 3.058318 0.861105
H -4.101021 2.270595 -0.868612
H -1.738928 -2.693506 -0.483253
H -3.067610 -2.305238 -1.536748


