%chk=000100779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100779

0 1
 O   -5.381400      0.1881000      0.7959000    
 O   0.4858000       1.594500       1.132600    
 O  -0.8839000      -1.912800      -1.547300    
 N  -0.4820000      4.5899998E-02 -0.3278000    
 N   -2.829000      0.2179000     -0.4637000    
 C    1.464700     -0.6021000      0.8320000    
 C   -1.560500      0.8576000     -0.8061000    
 C   0.9445000      -1.789500      1.6400000E-02
 C   0.4501000      0.4934000      0.5993000    
 C   -2.965900      7.6800004E-02  0.9926000    
 C   -3.961600      0.9826000      -1.004100    
 C  -0.2456000      -1.259200     -0.7336000    
 C    2.821200     -0.1719000      0.3858000    
 C   -4.301500     -0.5819000       1.325500    
 C   -5.274100      0.3035000     -0.6235000    
 C    3.956800     -0.6761000       1.019900    
 C    2.954700      0.7351000     -0.6656000    
 C    5.225600     -0.2735000      0.6030000    
 C    4.223400       1.137800      -1.082700    
 C    5.358800      0.6335000     -0.4484000    
 H    1.461700     -0.8399000       1.902700    
 H   -1.460800      0.9081000      -1.896800    
 H   -1.488000       1.875000     -0.4043000    
 H   0.6013000      -2.590700      0.6798000    
 H    1.675900      -2.198400     -0.6878000    
 H   -2.915100       1.061200       1.476300    
 H   -2.178000     -0.5523000       1.419700    
 H   -3.894700       1.040400      -2.096400    
 H   -3.952700       2.006500     -0.6078000    
 H   -4.356100      -1.605900      0.9363000    
 H   -4.431700     -0.6330000       2.411300    
 H   -6.119600      0.9044000     -0.9733000    
 H   -5.362300     -0.6902000      -1.079300    
 H    3.866100      -1.384600       1.839000    
 H    2.098400       1.134800      -1.200500    
 H    6.109700     -0.6666000       1.096200    
 H    4.328000       1.839900      -1.904800    
 H    6.346600      0.9459000     -0.7742000    


%chk=000100779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100779

0 1
O -5.466133 -0.037236 0.993486
O 0.323785 0.815144 1.500783
O -0.981145 -0.901648 -2.652878
N -0.502898 0.203256 -0.622489
N -2.862116 0.588737 -0.052011
C 1.422950 -1.003745 0.151267
C -1.660207 1.146607 -0.648152
C 0.940532 -1.597089 -1.203716
C 0.389903 0.109205 0.467619
C -3.314173 1.183348 1.226055
C -3.974523 0.260296 -0.971846
C -0.277409 -0.769030 -1.621775
C 2.852445 -0.461495 0.159146
C -4.332246 0.241997 1.892415
C -4.977396 -0.657132 -0.251059
C 3.745280 -0.817093 1.198524
C 3.301654 0.420882 -0.857663
C 5.064450 -0.310316 1.220841
C 4.618286 0.928922 -0.837415
C 5.505775 0.563507 0.201987
H 1.331849 -1.750372 0.960791
H -1.817079 1.395599 -1.713964
H -1.322142 2.046185 -0.102132
H 0.636487 -2.654772 -1.119272
H 1.711281 -1.546700 -1.990928
H -3.794864 2.179364 1.067766
H -2.440785 1.317305 1.889964
H -3.566601 -0.257425 -1.859025
H -4.508918 1.180115 -1.313671
H -3.829878 -0.710484 2.167905
H -4.775307 0.703427 2.790320
H -5.875523 -0.829071 -0.866823
H -4.489392 -1.628267 -0.018111
H 3.406048 -1.488645 1.996372
H 2.622858 0.718469 -1.667268
H 5.744334 -0.596185 2.031016
H 4.951750 1.611071 -1.627475
H 6.527868 0.957570 0.217714


