%chk=000016212.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016212

0 1
 O   -2.543200      -1.961900      0.3064000    
 O    2.567300       1.237500      -1.447600    
 O  -5.2499998E-02 -0.2332000       1.814100    
 N   0.3669000     -0.3483000     -0.4484000    
 C   -5.222900      -1.227000     -0.2773000    
 C   -4.130300     -0.2250000     -9.8099999E-02
 C   -1.820100      0.3187000      0.3545000    
 C   -2.827400     -0.6320000      0.1894000    
 C   -2.115800       1.676400      0.2321000    
 C   -4.425900       1.132700     -0.2206000    
 C    2.700200      0.4637000     -0.2560000    
 C    1.777700     -0.7600000     -0.3112000    
 C   -5.829500      -1.187400      -1.691900    
 C   -6.336900      -1.075500      0.7749000    
 C   -3.418700       2.083300     -5.5500001E-02
 C  -0.4582000     -0.1112000      0.6531000    
 C    4.151000      5.7999998E-02 -0.1152000    
 C   -1.058400       2.718300      0.4030000    
 C    4.690000     -9.5700003E-02   1.150600    
 C    4.908300     -0.1512000      -1.255000    
 C    6.027400     -0.4699000       1.280600    
 C    6.245700     -0.5255000      -1.124800    
 C    6.805200     -0.6849000      0.1430000    
 H   -4.846900      -2.248800     -0.1668000    
 H   -5.432800       1.474200     -0.4440000    
 H    2.408000       1.117100      0.5754000    
 H    1.882200      -1.380000      0.5857000    
 H    1.995500      -1.376100      -1.190800    
 H   -6.339200     -0.2392000      -1.894200    
 H   -6.563000      -1.991200      -1.818400    
 H   -5.051800      -1.319600      -2.452500    
 H   -5.924100      -1.131200       1.788300    
 H   -7.076400      -1.876800      0.6693000    
 H   -6.866200     -0.1214000      0.6791000    
 H   -3.666500       3.136800     -0.1548000    
 H  -1.8000000E-03 -0.2198000      -1.386300    
 H  -0.5945000       2.638800       1.391700    
 H  -0.2884000       2.613900     -0.3685000    
 H   -1.467500       3.731100      0.3199000    
 H    4.090800      6.7699999E-02   2.041600    
 H    4.493000     -4.9300000E-02  -2.253100    
 H   -3.218900      -2.374000      0.8704000    
 H    3.112500       2.036800      -1.345600    
 H    6.462900     -0.5947000       2.267700    
 H    6.850600     -0.6967000      -2.010400    
 H    7.846200     -0.9774000      0.2442000    


%chk=000016212-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016212

0 1
O -1.896490 -1.260756 -0.535104
O 2.069277 -1.123899 -1.806271
O 0.203374 1.246110 2.043740
N 0.366519 -0.246647 0.282121
C -4.810076 -1.047875 -1.032544
C -3.993949 -0.027850 -0.226247
C -1.842392 0.777379 0.792655
C -2.597950 -0.157588 0.012149
C -2.533271 1.914986 1.331015
C -4.637234 1.097978 0.333278
C 2.594750 -0.161990 -0.808683
C 1.798659 -0.459612 0.479123
C -5.516805 -0.389956 -2.247423
C -5.826235 -1.793183 -0.124846
C -3.922841 2.047930 1.082440
C -0.361640 0.605937 1.092071
C 4.095530 -0.316112 -0.600229
C -1.866607 3.007562 2.149672
C 4.908912 0.825038 -0.390975
C 4.691664 -1.603413 -0.578149
C 6.295240 0.685338 -0.155673
C 6.077825 -1.744032 -0.346521
C 6.883550 -0.600630 -0.132848
H -4.144142 -1.832204 -1.461434
H -5.713180 1.236476 0.174745
H 2.363299 0.875522 -1.130928
H 2.129972 0.201858 1.296682
H 2.001836 -1.508960 0.772563
H -6.253700 0.363855 -1.915748
H -6.057885 -1.150055 -2.840555
H -4.790154 0.117374 -2.906498
H -5.317877 -2.296919 0.716503
H -6.385591 -2.552265 -0.702583
H -6.558291 -1.084063 0.302662
H -4.447157 2.918247 1.491436
H -0.124840 -0.811222 -0.419014
H -1.523625 2.625127 3.125347
H -0.959359 3.397728 1.659016
H -2.577997 3.837267 2.311199
H 4.455360 1.824207 -0.408794
H 4.062990 -2.483898 -0.752521
H -2.509261 -1.846592 -1.044107
H 2.569066 -1.008364 -2.653688
H 6.914652 1.574755 0.005556
H 6.530708 -2.742026 -0.331411
H 7.958966 -0.710463 0.046822


