%chk=000100618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100618

0 1
 S  -0.3845000      0.9279000       2.355400    
 S   0.3701000     -0.9979000       2.359000    
 N   -1.619400       1.521300      4.1000000E-03
 N    1.610700      -1.546700       0.000000    
 N   -2.641300     -4.5100000E-02   1.201800    
 N    2.611300      2.0600000E-02   1.214200    
 C   -4.563800     -0.5608000     -0.2605000    
 C    4.524500      0.5806000     -0.2439000    
 C   -3.275500      0.2207000      5.2999999E-02
 C    3.304700     -0.1872000      4.8300002E-02
 C  -0.6607000       2.523200     -0.4045000    
 C   0.6662000      -2.557700     -0.4191000    
 C   -2.718300       1.154000     -0.7201000    
 C    2.703400      -1.155300     -0.7212000    
 C   -4.399600      -1.357400      -1.575400    
 C   -5.756800      0.4117000     -0.4083000    
 C   -4.951800      -1.581100      0.8353000    
 C    4.404000       1.425400      -1.563300    
 C    5.788000     -0.3371000     -0.4176000    
 C    4.955800       1.629700      0.8493000    
 C   -1.614900      0.7747000       1.149400    
 C    1.624100     -0.8092000       1.126900    
 C   -1.296800       3.909700     -0.5217000    
 C   6.8599999E-02   2.127100      -1.689600    
 C    1.322100      -3.933400     -0.5526000    
 C  -7.0200004E-02  -2.157700      -1.698900    
 H   0.1087000       2.605000      0.3683000    
 H  -0.1007000      -2.658700      0.3540000    
 H   -2.967600       1.589500      -1.677600    
 H    2.953900      -1.579400      -1.684100    
 H   -5.303200      -1.931200      -1.810900    
 H   -4.201600     -0.6937000      -2.425000    
 H   -3.561600      -2.061000      -1.506800    
 H   -5.596000       1.122800      -1.226800    
 H   -6.687700     -0.1267000     -0.6197000    
 H   -5.905100      0.9947000      0.5082000    
 H   -5.871800      -2.118700      0.5786000    
 H   -4.159900      -2.325600      0.9797000    
 H   -5.114200      -1.083800       1.798700    
 H    5.319800       1.991300      -1.767400    
 H    4.212200      0.7775000      -2.426300    
 H    3.571600       2.135000      -1.491600    
 H    5.645600      -1.046400      -1.241100    
 H    6.688100      0.2492000     -0.6340000    
 H    5.969400     -0.9198000      0.4930000    
 H    5.869400       2.164000      0.5658000    
 H    4.163000       2.370700       1.005100    
 H    5.136500       1.133000       1.809600    
 H   -2.042900       3.946800      -1.323000    
 H  -0.5357000       4.666800     -0.7388000    
 H   -1.795800       4.191100      0.4122000    
 H   0.5454000       1.147300      -1.583200    
 H   0.8498000       2.855900      -1.930600    
 H  -0.6146000       2.074400      -2.544100    
 H    2.067400      -3.950800      -1.355300    
 H   0.5717000      -4.699000     -0.7771000    
 H    1.826500      -4.218000      0.3775000    
 H  -0.5618000      -1.186600      -1.580500    
 H  -0.8407000      -2.895200      -1.947700    
 H   0.6111000      -2.084700      -2.553300    


%chk=000100618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100618

0 1
S -0.765375 0.969106 2.775629
S 0.724198 -0.944140 2.806906
N -1.455920 1.415365 0.097967
N 1.484237 -1.447864 0.156380
N -2.862352 -0.013750 1.187006
N 2.814242 0.065755 1.225837
C -4.594309 -0.501467 -0.606472
C 4.557233 0.570235 -0.553428
C -3.329615 0.184271 -0.111202
C 3.307280 -0.144765 -0.061341
C -0.358993 2.400186 -0.134573
C 0.435816 -2.484039 -0.070731
C -2.470609 1.075765 -0.788987
C 2.495684 -1.088273 -0.726471
C -4.885127 -0.115924 -2.078318
C -5.784990 -0.065745 0.297274
C -4.410004 -2.043049 -0.493239
C 4.854303 0.200222 -2.027975
C 5.756548 0.149356 0.346670
C 4.345834 2.106934 -0.428469
C -1.739481 0.744256 1.311770
C 1.721388 -0.733834 1.355533
C -0.877532 3.838560 0.090714
C 0.268702 2.211045 -1.529594
C 1.048872 -3.898521 0.037540
C -0.287111 -2.254132 -1.412987
H 0.401055 2.172713 0.635556
H -0.285957 -2.344627 0.755203
H -2.518392 1.477482 -1.796533
H 2.575272 -1.516478 -1.721247
H -5.802869 -0.624000 -2.426160
H -5.042210 0.973818 -2.187465
H -4.057940 -0.419480 -2.748075
H -5.964740 1.022449 0.219091
H -6.708863 -0.593627 -0.005375
H -5.568339 -0.302517 1.352997
H -5.341510 -2.563050 -0.785670
H -3.595638 -2.393603 -1.155058
H -4.157189 -2.320968 0.544383
H 5.759866 0.730848 -2.374161
H 5.036438 -0.884883 -2.144328
H 4.018865 0.488542 -2.694164
H 5.952843 -0.935656 0.264075
H 6.671753 0.692395 0.044490
H 5.538557 0.379089 1.403760
H 5.270553 2.645490 -0.708376
H 3.531670 2.449165 -1.094872
H 4.078714 2.371308 0.608999
H -1.665067 4.097393 -0.640555
H -0.048444 4.559456 -0.023142
H -1.293412 3.949191 1.106994
H 0.619158 1.173800 -1.670169
H 1.139207 2.883023 -1.627928
H -0.440854 2.463830 -2.339014
H 1.792199 -4.074657 -0.761638
H 0.254623 -4.660252 -0.057104
H 1.546095 -4.037082 1.013082
H -0.722231 -1.240964 -1.459431
H -1.109235 -2.984509 -1.513584
H 0.392206 -2.393493 -2.274222


