%chk=000091190.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091190

0 1
 O   -1.130900       1.008700       1.620800    
 O   0.4022000      -2.071400     -0.5634000    
 O   -2.063600       2.949500       2.469800    
 N    4.864700     -0.4865000      4.6799999E-02
 N   -5.083300      -2.084900      0.3933000    
 C  -0.7927000      0.4458000      0.3135000    
 C   0.7032000      0.2035000      0.2757000    
 C   -1.586400     -0.8325000      0.1298000    
 C   -1.229100       1.540000     -0.6066000    
 C    1.201800      -1.024300     -0.1740000    
 C   -1.751300       2.589400      0.1277000    
 C  -0.9460000      -1.996500     -0.3103000    
 C    1.622400       1.198000      0.6542000    
 C   -1.691500       2.258000       1.543000    
 C   -2.972500     -0.8813000      0.3615000    
 C   -1.174900       1.616300      -1.989500    
 C    2.579800      -1.251300     -0.2544000    
 C    3.476200     -0.2550000      0.1242000    
 C    2.997500      0.9691000      0.5806000    
 C   -1.669300      -3.174700     -0.5236000    
 C   -2.236200       3.744000     -0.4583000    
 C   -3.693200      -2.059000      0.1552000    
 C   -1.658000       2.771600      -2.610900    
 C   -3.041700      -3.205300     -0.2892000    
 C   -2.185000       3.828400      -1.849900    
 C    5.804300      0.5449000      0.4403000    
 C    5.371700      -1.764000     -0.4144000    
 C    6.125000      0.4685000       1.918800    
 C    5.534900      -1.785300      -1.920200    
 C   -5.778000      -3.263600      0.8096000    
 H    1.275700       2.165400       1.009200    
 H   -3.497000      9.3000000E-03  0.7012000    
 H  -0.7690000      0.8036000      -2.582600    
 H    2.893200      -2.218900     -0.6315000    
 H    3.635800       1.782400      0.9065000    
 H   -1.165600      -4.073300     -0.8707000    
 H   -2.642100       4.557500      0.1321000    
 H   -1.626000       2.854400      -3.694000    
 H   -3.574300      -4.134200     -0.4697000    
 H   -2.555500       4.718300      -2.351300    
 H    6.745700      0.3907000     -0.1049000    
 H    5.500000       1.552900      0.1399000    
 H    6.366700      -1.927400      2.1800000E-02
 H    4.793300      -2.621000     -5.3399999E-02
 H   -5.519300      -1.190400      0.5936000    
 H    5.237500      0.6431000       2.534900    
 H    6.526200     -0.5145000       2.187200    
 H    6.873200       1.222100       2.184200    
 H    4.576800      -1.658000      -2.433700    
 H    6.200300     -0.9834000      -2.257500    
 H    5.965800      -2.738700      -2.241800    
 H   -5.839600      -4.000000      2.0999999E-03
 H   -6.804400      -3.006200       1.090800    
 H   -5.301900      -3.723300       1.682100    


%chk=000091190-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091190

0 1
O -0.965675 0.732142 1.919268
O 0.495826 -2.326935 0.151623
O -1.852478 2.530513 3.120599
N 4.965978 -0.504619 -0.059209
N -5.131650 -1.977974 -0.136891
C -0.750351 0.352124 0.392606
C 0.724799 0.134952 0.188928
C -1.553452 -0.913744 0.161015
C -1.312323 1.593070 -0.297741
C 1.288064 -1.165042 0.137990
C -1.779862 2.527800 0.645946
C -0.908015 -2.173125 0.093501
C 1.642759 1.216599 0.139176
C -1.570302 2.000932 2.025898
C -2.962518 -0.875330 0.075176
C -1.397858 1.866443 -1.675381
C 2.672203 -1.393267 0.045905
C 3.585151 -0.299366 0.014534
C 3.025937 1.025813 0.056110
C -1.654165 -3.360008 -0.044113
C -2.346359 3.759130 0.258756
C -3.738514 -2.057695 -0.062223
C -1.965494 3.099097 -2.079036
C -3.056137 -3.312556 -0.118414
C -2.436824 4.038905 -1.123172
C 5.911949 0.621235 -0.194201
C 5.550051 -1.858140 0.021502
C 6.323962 1.251518 1.157625
C 5.634437 -2.580313 -1.344598
C -6.004507 -3.142935 -0.235128
H 1.254272 2.240187 0.187808
H -3.470050 0.095487 0.132606
H -1.033413 1.145767 -2.414760
H 3.003793 -2.431414 -0.017402
H 3.676577 1.903425 0.049426
H -1.119944 -4.313727 -0.090568
H -2.698179 4.465132 1.018141
H -2.042053 3.334278 -3.146598
H -3.619549 -4.244449 -0.219805
H -2.870017 4.985438 -1.464397
H 6.812902 0.242644 -0.713053
H 5.478547 1.391271 -0.858864
H 6.565943 -1.762911 0.449532
H 4.970634 -2.466823 0.740405
H -5.558871 -1.060564 -0.030353
H 5.445587 1.649355 1.694652
H 6.806215 0.500762 1.809476
H 7.040115 2.079300 0.998576
H 4.633029 -2.702526 -1.792147
H 6.254814 -2.004186 -2.054921
H 6.087286 -3.582398 -1.226348
H -5.805562 -3.730918 -1.154415
H -7.053960 -2.807184 -0.273165
H -5.897148 -3.824668 0.634724


