%chk=000014176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014176

1 1
 O   0.7222000     -0.4587000     -0.7834000    
 O   0.8453000       1.677400      0.2547000    
 O   -1.260500      -2.193100      9.8999999E-03
 O   -2.344100      -4.075900     -0.7761000    
 N   -3.373500       1.914600      0.3539000    
 C   -1.330500      0.7263000     -0.2584000    
 C   -2.754300       1.068300     -0.6869000    
 C  -0.6260000     -0.2479000      -1.223300    
 C  -0.4906000       2.002700     -0.1254000    
 C   -4.814700       2.291200     -2.6300000E-02
 C   -3.418200       1.182800       1.705200    
 C   -2.581500       3.217600      0.5492000    
 C   -1.292700      -1.616900      -1.283600    
 C    1.437900      0.7750000     -0.6827000    
 C    2.839300      0.4668000     -0.2157000    
 C    3.908500       1.260900     -0.6360000    
 C    3.071600     -0.6134000      0.6386000    
 C   -1.824700      -3.435700      0.1280000    
 C    5.203900      0.9761000     -0.2041000    
 C    4.367100     -0.8980000       1.070300    
 C    5.433200     -0.1031000      0.6490000    
 C   -1.717900      -3.917100       1.543200    
 H   -1.301800      0.2262000      0.7155000    
 H   -3.375800      0.1735000     -0.7936000    
 H   -2.770700       1.615400      -1.637600    
 H  -0.5993000      0.1737000      -2.236700    
 H  -0.4451000       2.590700      -1.048800    
 H  -0.6454000       2.607700      0.7406000    
 H   -4.781100       2.859700     -0.9604000    
 H   -5.380400       1.364600     -0.1617000    
 H   -5.253200       2.888900      0.7785000    
 H   -4.058200       1.759900       2.380700    
 H   -3.844600      0.1882000       1.544700    
 H   -2.419100       1.122800       2.142500    
 H   -2.140600       3.577700     -0.3823000    
 H   -3.341700       3.990500      0.7436000    
 H   -2.056800       3.234600       1.509000    
 H  -0.7212000      -2.262700      -1.961900    
 H   -2.321700      -1.550400      -1.650400    
 H    1.482400       1.242000      -1.676300    
 H    3.742800       2.106100      -1.298800    
 H    2.257900      -1.240200      0.9933000    
 H    6.034000       1.595300     -0.5315000    
 H    4.545600      -1.736300       1.737300    
 H    6.441700     -0.3243000      0.9861000    
 H   -2.249400      -3.231600       2.208000    
 H  -0.6659000      -3.993200       1.829500    
 H   -2.174800      -4.907500       1.625500    


%chk=000014176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014176

1 1
O 0.693505 -0.329031 -0.745332
O 1.106714 1.859537 0.167205
O -1.702917 -1.731278 0.130016
O -0.634699 -3.760343 -0.352603
N -3.703278 1.718208 0.335226
C -1.228590 1.149837 -0.310399
C -2.614775 1.656259 -0.773414
C -0.648453 0.029259 -1.231574
C -0.202619 2.320646 -0.283361
C -4.931446 2.425735 -0.240795
C -4.101474 0.303340 0.765652
C -3.210726 2.509187 1.545757
C -1.440179 -1.280202 -1.258118
C 1.624624 0.824347 -0.741872
C 2.970546 0.360758 -0.263923
C 4.031879 0.214672 -1.187317
C 3.174225 0.049066 1.102805
C -1.166139 -3.015154 0.484009
C 5.293669 -0.244953 -0.749499
C 4.435789 -0.406374 1.539340
C 5.496649 -0.556134 0.614325
C -1.341371 -3.266084 1.960242
H -1.266734 0.703466 0.700598
H -3.048186 1.017151 -1.562804
H -2.547991 2.684752 -1.175668
H -0.581152 0.415604 -2.278114
H -0.123615 2.766147 -1.302841
H -0.495317 3.113452 0.425806
H -4.680127 3.476038 -0.453414
H -5.236486 1.918720 -1.168795
H -5.750013 2.378719 0.493593
H -4.746600 0.374364 1.654832
H -4.657371 -0.169591 -0.058986
H -3.201689 -0.294821 0.976731
H -2.882931 3.506724 1.215732
H -4.041031 2.608862 2.261649
H -2.375772 1.977829 2.022651
H -0.854673 -2.056756 -1.781474
H -2.418576 -1.166095 -1.759377
H 1.654589 1.243100 -1.775306
H 3.877250 0.455774 -2.246220
H 2.351988 0.177783 1.813637
H 6.113516 -0.357748 -1.466264
H 4.596557 -0.643507 2.596406
H 6.475331 -0.910443 0.955290
H -2.296537 -2.860386 2.330447
H -0.520060 -2.772783 2.511763
H -1.287899 -4.346449 2.158658


