%chk=000127136.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127136

1 1
 S   -3.340800       1.549600      0.5523000    
 N   -3.746500     -0.8205000     -0.1609000    
 N    7.523500     -0.3318000      3.4400001E-02
 C   -4.997700     -0.2462000     -0.1528000    
 C   -3.525600      -2.205100     -0.5214000    
 C   -2.764200     -1.7200001E-02  0.1841000    
 C   -4.973200       1.090600      0.2247000    
 C   -6.204700     -0.8812000     -0.4780000    
 C   -6.152000       1.846500      0.2926000    
 C   -3.606100      -3.111400      0.6923000    
 C   -1.402800     -0.3592000      0.2564000    
 C   -7.383000     -0.1312000     -0.4117000    
 C   -7.355700       1.210700     -3.2400001E-02
 C  -0.3752000      0.4916000     -5.0000002E-04
 C    6.151500     -9.3000000E-03 -2.1700000E-02
 C    3.456100      0.6240000     -0.1331000    
 C    5.201700      -1.022700     -0.1506000    
 C    5.744500       1.322700      5.1100001E-02
 C    1.020500      0.1061000      6.4800002E-02
 C    3.844800     -0.7039000     -0.2067000    
 C    4.387800       1.641700     -4.9000001E-03
 C    2.023300      0.9609000     -0.1924000    
 C    7.958000      -1.595500      0.5952000    
 C    8.515700      0.5907000     -0.4808000    
 H   -4.250500      -2.523400      -1.278000    
 H   -2.553900      -2.324000      -1.015000    
 H   -6.264100      -1.924900     -0.7677000    
 H   -6.139100       2.890900      0.5869000    
 H   -2.864800      -2.837300       1.448900    
 H   -3.428800      -4.151500      0.4024000    
 H   -4.593300      -3.052800       1.161700    
 H   -1.152000      -1.384700      0.5163000    
 H   -8.331900     -0.6010000     -0.6568000    
 H   -8.284700       1.773600      1.2500000E-02
 H  -0.5713000       1.521500     -0.2896000    
 H    5.486700      -2.068200     -0.2271000    
 H    6.457900       2.134200      0.1639000    
 H    3.143400      -1.522500     -0.3327000    
 H    4.086000       2.683800      5.7000000E-02
 H    1.208000     -0.9217000      0.3601000    
 H    1.795400       1.991400     -0.4587000    
 H    9.016200      -1.558900      0.8778000    
 H    7.839500      -2.404700     -0.1332000    
 H    7.398500      -1.845400       1.503700    
 H    8.713200       1.390700      0.2404000    
 H    8.196100       1.034300      -1.430500    
 H    9.466100      8.1000000E-02 -0.6754000    


%chk=000127136-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127136

1 1
S -3.265568 1.634711 -0.058529
N -3.905800 -0.925203 -0.276822
N 7.699623 -0.212565 0.041813
C -5.155862 -0.254878 -0.214398
C -3.819989 -2.407524 -0.388810
C -2.789994 -0.114326 -0.185695
C -5.019063 1.154543 -0.108006
C -6.441999 -0.839756 -0.252522
C -6.133042 2.006801 -0.048932
C -3.804627 -3.103846 0.986162
C -1.446376 -0.548828 -0.181213
C -7.565284 0.011123 -0.192998
C -7.417893 1.417935 -0.094163
C -0.334234 0.309642 -0.129208
C 6.339525 0.017332 0.014043
C 3.487821 0.490655 -0.039945
C 5.398485 -1.076434 -0.043075
C 5.806707 1.356072 0.041931
C 1.015458 -0.121447 -0.115096
C 4.027157 -0.841662 -0.068571
C 4.431477 1.572554 0.015490
C 2.084029 0.785192 -0.062182
C 8.231920 -1.590631 0.003919
C 8.649450 0.917328 0.114010
H -4.682481 -2.739816 -0.990385
H -2.919400 -2.656618 -0.973716
H -6.577876 -1.922656 -0.320096
H -6.017695 3.091472 0.030021
H -2.931349 -2.794591 1.585977
H -3.756441 -4.197941 0.846972
H -4.716071 -2.873033 1.563791
H -1.258757 -1.627995 -0.211848
H -8.567957 -0.426001 -0.221241
H -8.304628 2.056993 -0.049536
H -0.508468 1.396922 -0.096632
H 5.759746 -2.107400 -0.064931
H 6.478938 2.216050 0.083106
H 3.351037 -1.702251 -0.110399
H 4.054476 2.602351 0.037395
H 1.211644 -1.201105 -0.147425
H 1.819197 1.853648 -0.033510
H 9.330670 -1.556364 0.018642
H 7.919029 -2.117713 -0.916692
H 7.896121 -2.177495 0.879584
H 8.484070 1.522829 1.024681
H 8.559748 1.576495 -0.769957
H 9.677023 0.527729 0.145894


