%chk=000052843.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052843

0 1
 O  -0.2841000      0.5485000      7.6899998E-02
 O   7.1699999E-02 -0.1897000      -2.125100    
 N    3.251800       1.668300      0.1859000    
 C  -0.8887000     -8.8200003E-02  -1.060800    
 C   0.9436000       1.088000     -0.4208000    
 C    1.324600      0.1166000      -1.511400    
 C   -1.337900      -1.485700     -0.6528000    
 C   -2.063800      0.7524000      -1.543700    
 C    1.965900       1.196900      0.6902000    
 C  -0.1838000      -2.325000     -0.1739000    
 C   -3.111800      0.9124000     -0.4750000    
 C    3.099500       2.962900     -0.4794000    
 C    4.225700       1.766800       1.273700    
 C   0.5262000      -3.094800      -1.085000    
 C   -4.140800     -1.4500000E-02 -0.3824000    
 C   0.1550000      -2.317200       1.172200    
 C   -3.034400       1.984400      0.4034000    
 C    4.430600       3.467400      -1.010200    
 C    4.446500      0.4178000       1.936700    
 C    1.595800      -3.872400     -0.6413000    
 C   -5.111800      0.1335000      0.6079000    
 C    1.224800      -3.094800       1.615800    
 C   -4.005500       2.132200       1.393900    
 C    1.945100      -3.872400      0.7089000    
 C   -5.044100       1.206700       1.496100    
 H   0.6696000       2.063500     -0.8371000    
 H    1.802400     -0.7883000      -1.133500    
 H    1.991600      0.5596000      -2.256600    
 H   -2.060300      -1.465000      0.1697000    
 H   -1.823300      -1.997700      -1.493900    
 H   -1.713100       1.745500      -1.856400    
 H   -2.505700      0.3151000      -2.449000    
 H    1.574200       1.852600       1.480000    
 H    2.049700      0.2030000       1.143300    
 H    2.459000       2.880000      -1.362200    
 H    2.657500       3.716600      0.1843000    
 H    5.208600       2.061500      0.8927000    
 H    3.927100       2.506900       2.026800    
 H   0.2625000      -3.104300      -2.138800    
 H   -4.211800     -0.8491000      -1.074200    
 H  -0.3976000      -1.715600       1.888400    
 H   -2.230700       2.711900      0.3328000    
 H    5.075900       3.861600     -0.2191000    
 H    4.971300       2.690500      -1.561700    
 H    4.255900       4.296100      -1.706200    
 H    4.614500     -0.3750000       1.199500    
 H    3.614300      0.1288000       2.585900    
 H    5.336600      0.4636000       2.574500    
 H    2.156900      -4.477600      -1.347400    
 H   -5.921800     -0.5858000      0.6860000    
 H    1.497800      -3.093700       2.667000    
 H   -3.953000       2.968000       2.085400    
 H    2.778500      -4.477200       1.054300    
 H   -5.800500       1.322200       2.266900    


%chk=000052843-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052843

0 1
O -0.254064 0.762565 0.144915
O 0.054185 -0.310962 -1.948753
N 3.350576 1.872761 0.192857
C -0.926571 -0.103377 -0.855796
C 1.028352 1.242224 -0.439139
C 1.376765 0.148757 -1.465985
C -1.313109 -1.439329 -0.170372
C -2.130386 0.625347 -1.506236
C 2.040255 1.393387 0.704861
C -0.131864 -2.250420 0.330189
C -3.358367 0.796483 -0.622714
C 3.391840 3.356006 0.051970
C 4.505381 1.334966 0.964756
C 0.510829 -3.190799 -0.515928
C -4.600368 0.227357 -1.003131
C 0.365212 -2.074221 1.647792
C -3.295743 1.540594 0.586234
C 4.415404 3.836829 -0.993991
C 4.794829 -0.148953 0.670274
C 1.626179 -3.931089 -0.062136
C -5.754117 0.395668 -0.203181
C 1.478714 -2.814489 2.107233
C -4.445880 1.708739 1.388221
C 2.115188 -3.745260 1.252481
C -5.680604 1.138142 0.997184
H 0.849033 2.210748 -0.950246
H 1.929190 -0.684571 -0.993631
H 1.928711 0.526760 -2.338596
H -1.995623 -1.190392 0.661777
H -1.896624 -2.020933 -0.908726
H -1.750868 1.609635 -1.840893
H -2.393288 0.057093 -2.417655
H 1.616743 2.071153 1.484179
H 2.164502 0.402002 1.173408
H 2.386000 3.693283 -0.260765
H 3.594600 3.849339 1.036772
H 5.395456 1.927437 0.685587
H 4.359917 1.481593 2.065518
H 0.139917 -3.329828 -1.537952
H -4.665246 -0.348366 -1.935070
H -0.122446 -1.348056 2.308180
H -2.336521 1.971736 0.893094
H 5.448064 3.550067 -0.725490
H 4.187463 3.397032 -1.980608
H 4.387653 4.939038 -1.081963
H 4.977989 -0.292326 -0.409095
H 3.956946 -0.806906 0.964344
H 5.690148 -0.481435 1.228452
H 2.110516 -4.652571 -0.730177
H -6.705455 -0.049769 -0.516152
H 1.844863 -2.670861 3.130606
H -4.381314 2.286443 2.317705
H 2.976323 -4.322650 1.608050
H -6.573089 1.272181 1.618944


