%chk=000116110.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116110

0 1
 O    3.652500     -0.8332000     -0.1931000    
 N   -3.558200     -0.7771000      0.1390000    
 C   -1.405500      -1.943000     -5.9799999E-02
 C    1.563300      -1.959300      7.9899997E-02
 C  -0.6289000      -3.198500      0.3567000    
 C  -0.6114000     -0.6745000      0.2773000    
 C   0.7693000      -3.227500     -0.2579000    
 C   0.7871000     -0.7037000     -0.3370000    
 C   -2.779200      -1.912800      0.6073000    
 C    2.937600      -1.989900     -0.5860000    
 C   -4.865700     -0.7396000      0.7813000    
 C    4.949900     -0.7910000     -0.7770000    
 C   -5.683900      0.4371000      0.3198000    
 C    5.651600      0.4547000     -0.3218000    
 C   -5.596100       1.641100       1.004700    
 C   -6.513900      0.3014000     -0.7843000    
 C    5.526300       1.624900      -1.062200    
 C    6.420300      0.4279000      0.8366000    
 C   -6.353900       2.731300      0.5771000    
 C   -7.271500       1.391800      -1.212000    
 C   -7.191500       2.606700     -0.5312000    
 C    6.178400       2.783200     -0.6391000    
 C    7.072200       1.586200       1.259700    
 C    6.951200       2.763800      0.5219000    
 H   -1.544700      -1.982300      -1.149700    
 H    1.709500      -1.912300       1.168000    
 H   -1.176400      -4.097000      4.7499999E-02
 H  -0.5428000      -3.239900       1.450100    
 H  -0.5235000     -0.5654000       1.366000    
 H   -1.129000      0.2190000     -9.0499997E-02
 H    1.305000      -4.111700      0.1075000    
 H   0.6827000      -3.336000      -1.346700    
 H   0.7015000     -0.6625000      -1.430500    
 H    1.323800      0.2007000     -2.7100001E-02
 H   -2.656300      -1.862200       1.696700    
 H   -3.309900      -2.846000      0.3801000    
 H    3.486400      -2.884800     -0.2690000    
 H    2.836000      -2.011300      -1.677900    
 H   -3.673300     -0.8395000     -0.8726000    
 H   -5.421700      -1.664500      0.5781000    
 H   -4.752900     -0.6858000       1.872200    
 H    5.523600      -1.678100     -0.4805000    
 H    4.869100     -0.8010000      -1.871200    
 H   -4.945500       1.749600       1.867900    
 H   -6.582200     -0.6397000      -1.322700    
 H    4.924800       1.651800      -1.966600    
 H    6.519500     -0.4832000       1.420100    
 H   -6.291200       3.677500       1.106700    
 H   -7.923300       1.295200      -2.075300    
 H   -7.781100       3.455700     -0.8643000    
 H    6.083700       3.700300      -1.213100    
 H    7.673500       1.571500       2.164100    
 H    7.458600       3.665700      0.8516000    


%chk=000116110-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116110

0 1
O 3.720487 -0.795710 -0.166504
N -3.682384 -0.935235 0.064938
C -1.422502 -1.995476 -0.093938
C 1.585910 -1.957581 0.000812
C -0.605606 -3.262241 0.264850
C -0.632736 -0.722242 0.295505
C 0.801506 -3.239930 -0.378453
C 0.766550 -0.693811 -0.359019
C -2.823674 -2.033972 0.555604
C 2.967014 -1.955790 -0.667104
C -5.011262 -0.846330 0.705258
C 5.061864 -0.708873 -0.779423
C -5.790982 0.380588 0.243163
C 5.762812 0.516393 -0.236733
C -5.130735 1.617867 0.029633
C -7.192981 0.311270 0.047913
C 5.592123 1.777505 -0.860616
C 6.587413 0.425995 0.912034
C -5.860085 2.762109 -0.362746
C -7.926206 1.456385 -0.340374
C -7.261303 2.686934 -0.546923
C 6.230341 2.927857 -0.345813
C 7.228447 1.573410 1.430836
C 7.051934 2.827733 0.801439
H -1.557332 -1.987050 -1.200868
H 1.749418 -1.959507 1.099465
H -1.152094 -4.172082 -0.055925
H -0.501878 -3.322561 1.369188
H -0.521283 -0.699126 1.400894
H -1.218107 0.173535 0.018399
H 1.370045 -4.140956 -0.071106
H 0.696025 -3.288170 -1.483630
H 0.656362 -0.641492 -1.464374
H 1.327534 0.206176 -0.049085
H -2.718763 -1.918013 1.654501
H -3.278288 -3.044573 0.384123
H 3.519078 -2.894751 -0.428533
H 2.861696 -1.891178 -1.776306
H -3.759172 -0.942375 -0.962187
H -5.640449 -1.758681 0.547134
H -4.838052 -0.782557 1.800306
H 5.635971 -1.632033 -0.540646
H 4.955164 -0.647424 -1.885673
H -4.045242 1.659766 0.169248
H -7.713448 -0.642982 0.200198
H 4.951487 1.856592 -1.747372
H 6.720334 -0.545375 1.403852
H -5.337926 3.712576 -0.523488
H -9.010325 1.387130 -0.486729
H -7.826901 3.575116 -0.851028
H 6.090310 3.897623 -0.836571
H 7.863459 1.490844 2.320115
H 7.550330 3.718471 1.200561


