%chk=000054555.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054555

0 1
 O  -0.7893000      0.4678000      0.2964000    
 O   -1.477100      -1.592600       1.059000    
 N   0.9915000      -2.346600      0.2525000    
 C    1.133200     -0.9521000     -0.2071000    
 C   0.5465000      0.1807000      0.6725000    
 C    2.563900     -0.5251000     -0.4737000    
 C    1.454800       1.338700      0.3422000    
 C    2.635600      0.9158000     -0.2834000    
 C    1.777100      -3.225100     -0.6398000    
 C    3.275700      -2.870500     -0.7334000    
 C    3.552000      -1.392600     -0.7203000    
 C    1.336800      -2.567100       1.655100    
 C    1.256500       2.677000      0.6515000    
 C    3.631200       1.820600     -0.6191000    
 C    2.251600       3.595300      0.3108000    
 C    3.430500       3.170100     -0.3197000    
 C   -1.707400     -0.5084000      0.5461000    
 C   -3.061400     -8.6499996E-02  0.1067000    
 C   -3.955900      -1.049200     -0.3145000    
 C   -3.383600       1.254900      0.1336000    
 C   -5.228000     -0.6530000     -0.7272000    
 C   -4.655900       1.651000     -0.2790000    
 C   -5.578000      0.6970000     -0.7093000    
 H   0.6125000     -0.9048000      -1.178100    
 H   0.6151000      3.8000001E-03   1.751400    
 H    1.338900      -3.168600      -1.645700    
 H    1.664200      -4.274400     -0.3394000    
 H    3.689700      -3.307100      -1.649400    
 H    3.810800      -3.323100      0.1103000    
 H    4.576400      -1.061600     -0.8566000    
 H   0.6442000      -2.062200       2.333700    
 H    2.352000      -2.239000       1.902600    
 H    1.260200      -3.632700       1.901500    
 H   0.3532000       3.008400       1.152700    
 H    4.546600       1.502800      -1.107100    
 H    2.115500       4.648500      0.5412000    
 H    4.195300       3.898500     -0.5753000    
 H   -3.693800      -2.102900     -0.3360000    
 H   -2.688500       2.015400      0.4766000    
 H   -5.946000      -1.395600      -1.062900    
 H   -4.929900       2.701800     -0.2624000    
 H   -6.568800       1.005400      -1.030000    


%chk=000054555-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054555

0 1
O -0.806885 0.338235 0.089638
O -1.653998 -0.958244 1.844325
N 1.114976 -2.414847 -0.135688
C 1.276706 -0.971197 -0.412722
C 0.581214 0.044071 0.536124
C 2.747483 -0.493614 -0.428798
C 1.455198 1.282522 0.436480
C 2.738855 0.938023 -0.079016
C 1.996381 -3.156214 -1.081381
C 3.517599 -2.834235 -0.929189
C 3.771001 -1.357942 -0.665515
C 1.289147 -2.821884 1.278020
C 1.158952 2.597567 0.834286
C 3.742154 1.927830 -0.195216
C 2.165461 3.586878 0.712765
C 3.447411 3.250664 0.206149
C -1.846235 -0.258335 0.818286
C -3.182335 0.058748 0.236863
C -4.330660 -0.471752 0.880533
C -3.327928 0.863487 -0.923182
C -5.615330 -0.198662 0.368864
C -4.616149 1.134607 -1.430627
C -5.760526 0.605324 -0.787326
H 0.847874 -0.780856 -1.420429
H 0.520669 -0.329260 1.575163
H 1.672927 -2.892862 -2.107409
H 1.823372 -4.239781 -0.949399
H 4.051133 -3.156950 -1.846587
H 3.959863 -3.428130 -0.101101
H 4.815672 -1.019596 -0.614194
H 0.452562 -2.430484 1.881962
H 2.251270 -2.493909 1.739734
H 1.243087 -3.924383 1.328445
H 0.167023 2.852428 1.222499
H 4.728665 1.679816 -0.602561
H 1.954478 4.619854 1.010967
H 4.213786 4.029258 0.118667
H -4.192209 -1.091365 1.772673
H -2.435048 1.264333 -1.410543
H -6.500524 -0.609309 0.866317
H -4.729737 1.755567 -2.325841
H -6.759454 0.817300 -1.185035


