%chk=000178677.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178677

0 1
 S  -0.2901000      -1.095100      1.0300000E-02
 S  -0.5799000       3.071900     -5.7999998E-02
 S    1.742000       1.040700      2.1500001E-02
 S   -3.573300       3.422600      1.0400000E-02
 N   -2.161700      0.9910000     -1.0200000E-02
 N    2.347000      -1.568200      2.9000000E-03
 C   -3.313300      0.1437000     -6.6000000E-03
 C  -0.8462000      0.5382000      4.6100002E-02
 C   8.6700000E-02   1.494600      2.8100001E-02
 C   -2.243700       2.407400     -4.8000000E-02
 C   -3.904100     -0.2147000       1.201700    
 C   -3.836400     -0.3177000      -1.211100    
 C   -5.555500      -1.506200      1.1000000E-03
 C   -5.027600      -1.041500       1.205600    
 C   -4.960000      -1.144400      -1.207200    
 C    1.414600     -0.6815000      1.1200000E-02
 C    3.657300      -1.080000      1.5000000E-03
 C   -6.756800      -2.390300      4.9000001E-03
 C    6.272200     -0.1079000     -1.2000001E-03
 C    4.314900     -0.8437000       1.208800    
 C    4.307300     -0.8303000      -1.207100    
 C    5.622400     -0.3576000       1.207300    
 C    5.614700     -0.3443000      -1.208600    
 C    7.669500      0.4134000     -3.5000001E-03
 H   -3.500400      0.1417000       2.145800    
 H   -3.380100     -4.1099999E-02  -2.157900    
 H   -5.483500      -1.315000       2.153400    
 H   -5.363100      -1.498600      -2.152300    
 H   -6.741700      -3.080900     -0.8452000    
 H   -6.794800      -3.001500      0.9131000    
 H   -7.667800      -1.786200     -4.9800001E-02
 H    3.818300      -1.037500       2.156100    
 H    3.804800      -1.013700      -2.153400    
 H    6.124600     -0.1792000       2.154500    
 H    6.111100     -0.1555000      -2.156800    
 H    7.851900       1.050300     -0.8757000    
 H    7.865300       1.023500      0.8848000    
 H    8.380600     -0.4184000     -2.1199999E-02


%chk=000178677-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178677

0 1
S -0.423810 -0.730873 0.005075
S -1.103262 3.585761 -0.016562
S 1.563561 1.717803 -0.003968
S -4.237281 3.418722 -0.016246
N -2.440114 1.296217 -0.007088
N 2.288284 -1.036888 0.005364
C -3.488035 0.285410 -0.005001
C -1.073798 0.958236 -0.004908
C -0.207115 2.017340 -0.008341
C -2.730132 2.670006 -0.013048
C -3.976143 -0.209564 1.222913
C -3.990637 -0.199762 -1.231113
C -5.501843 -1.710077 -0.001134
C -4.976320 -1.204337 1.216917
C -4.990731 -1.194380 -1.221296
C 1.344139 -0.181114 0.003235
C 3.689081 -0.777361 0.004897
C -6.604236 -2.753553 0.000980
C 6.514670 -0.353569 0.005194
C 4.388418 -0.628529 1.230203
C 4.402762 -0.723461 -1.219887
C 5.782976 -0.416465 1.219575
C 5.796862 -0.509351 -1.209319
C 8.020800 -0.157998 0.006130
H -3.582035 0.186396 2.164412
H -3.607518 0.203714 -2.173928
H -5.356099 -1.590911 2.169768
H -5.381842 -1.573280 -2.172658
H -6.554450 -3.399648 -0.892756
H -6.551987 -3.398734 0.895181
H -7.600863 -2.270843 0.001976
H 3.837846 -0.683199 2.175044
H 3.862858 -0.850907 -2.163801
H 6.311031 -0.297162 2.173470
H 6.335939 -0.462586 -2.163392
H 8.361016 0.372819 -0.900541
H 8.353553 0.421020 0.885580
H 8.549654 -1.130893 0.034372


