%chk=000024222.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024222

0 1
 O   -2.318700      0.9734000     -0.9224000    
 O   0.5005000       1.798700       1.295300    
 O    5.903400      -1.005800      0.4833000    
 N    1.883900     -2.1700000E-02 -0.3518000    
 C   -1.529600       1.779500     -4.2800002E-02
 C  -0.2377000       1.015200      0.3498000    
 C   0.6963000      0.6894000     -0.8254000    
 C   -2.384100       2.136200       1.178800    
 C   -1.193100       3.063600     -0.8125000    
 C    2.758800     -0.3593000      -1.463600    
 C    3.993900      -1.098800     -0.9596000    
 C   -2.783800     -0.2067000     -0.4141000    
 C    4.777600     -0.2603000      4.1099999E-02
 C   -4.018800     -0.2451000      0.2273000    
 C   -2.019400      -1.363400     -0.5405000    
 C   -4.493100      -1.449600      0.7467000    
 C   -2.493900      -2.567900     -2.1100000E-02
 C   -3.730800      -2.610900      0.6225000    
 C    6.688600     -0.2664000       1.408900    
 H  -0.4869000      9.3900003E-02  0.8854000    
 H    1.050200       1.629200      -1.265600    
 H   0.1876000      0.1351000      -1.616700    
 H   -2.535500       1.284300       1.849800    
 H   -3.367200       2.520800      0.8859000    
 H   -1.897100       2.914700       1.778100    
 H  -0.7506000       2.846700      -1.790500    
 H  -0.5171000       3.716700     -0.2517000    
 H   -2.107800       3.629700      -1.027200    
 H    1.601000     -0.8731000      0.1331000    
 H    3.074400      0.5487000      -1.991500    
 H    2.235700     -0.9995000      -2.184000    
 H    1.298000       1.295200       1.532600    
 H    3.710400      -2.053500     -0.4981000    
 H    4.641200      -1.358500      -1.806200    
 H    4.162600     -7.6000001E-03  0.9120000    
 H    5.116700      0.6688000     -0.4325000    
 H   -4.635800      0.6447000      0.3091000    
 H   -1.077700      -1.379500      -1.071900    
 H   -5.459000      -1.484600       1.242000    
 H   -1.905400      -3.474600     -0.1269000    
 H   -4.101800      -3.549600       1.023600    
 H    6.101500     -1.8400000E-02   2.298500    
 H    7.072400      0.6466000      0.9434000    
 H    7.536700     -0.8858000       1.712600    


%chk=000024222-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000024222

0 1
O -2.284386 0.739895 -0.834934
O 0.822337 1.475928 1.165452
O 6.295661 -0.540016 0.428375
N 2.024497 -0.204176 -0.555347
C -1.369980 1.547846 0.074400
C -0.080343 0.705202 0.302213
C 0.701535 0.331938 -0.981572
C -2.030441 1.854161 1.428008
C -1.104787 2.828487 -0.728652
C 3.083352 -0.191421 -1.598501
C 4.415108 -0.753112 -1.064762
C -3.069814 -0.311364 -0.302012
C 5.006152 0.069770 0.085545
C -4.389843 -0.045784 0.138709
C -2.588326 -1.644105 -0.325597
C -5.215109 -1.107623 0.570722
C -3.420593 -2.701654 0.105934
C -4.733402 -2.438029 0.561061
C 6.951146 0.142568 1.540853
H -0.380599 -0.230865 0.829404
H 0.897628 1.246487 -1.569018
H 0.112629 -0.359718 -1.619032
H -2.281376 0.929896 1.977948
H -2.951661 2.447215 1.291430
H -1.316673 2.429663 2.040941
H -0.868068 2.590521 -1.779686
H -0.258919 3.375543 -0.277930
H -1.999238 3.474147 -0.723010
H 1.930943 -1.145923 -0.143245
H 3.219404 0.858939 -1.922951
H 2.784367 -0.771123 -2.503493
H 1.727174 1.096098 0.929012
H 4.283054 -1.799977 -0.725941
H 5.150668 -0.780004 -1.890347
H 4.330858 0.065048 0.968467
H 5.153039 1.129074 -0.228648
H -4.757457 0.985298 0.121875
H -1.580798 -1.844684 -0.704908
H -6.236089 -0.896597 0.908529
H -3.045730 -3.731320 0.080566
H -5.376732 -3.259786 0.893878
H 6.331263 0.109509 2.462811
H 7.167783 1.205413 1.298079
H 7.898265 -0.390866 1.718576


