%chk=000094342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094342

0 1
 O    4.827400     -0.5308000       1.006700    
 O   -4.828900     -0.5345000      -1.004100    
 O    4.573200      0.7123000      -1.580600    
 O   -4.570900      0.7183000       1.578000    
 N    1.445200      -1.642500      2.9999999E-02
 N   -1.445400      -1.642700     -2.8200001E-02
 C   0.6758000     -0.4362000      0.3590000    
 C   0.6761000      -2.848000      0.3625000    
 C  -0.6763000     -0.4378000     -0.3627000    
 C  -0.6764000      -2.849000     -0.3581000    
 C    2.733100      -1.641200      0.7211000    
 C   -2.734100      -1.643900     -0.7174000    
 C    3.581600     -0.4504000      0.3004000    
 C   -3.582100     -0.4515000     -0.3000000    
 C    3.840700     -0.4569000      -1.200300    
 C   -3.839000     -0.4523000       1.201100    
 C    5.762700      0.3346000      0.5035000    
 C   -5.763400      0.3329000     -0.5028000    
 C    5.634100      0.9457000     -0.7457000    
 C   -5.633000      0.9486000      0.7439000    
 C    6.884900      0.5873000       1.293000    
 C   -6.886700      0.5826000      -1.291700    
 C    6.605700       1.844100      -1.187400    
 C   -6.603900       1.848700       1.183600    
 C    7.863000       1.475200      0.8445000    
 C   -7.864200       1.472300     -0.8451000    
 C    7.720900       2.106800     -0.3915000    
 C   -7.720200       2.108500      0.3882000    
 H    1.184900      0.4731000      2.6200000E-02
 H   0.5185000     -0.3520000       1.442900    
 H   0.5164000      -2.923900       1.446700    
 H    1.232200      -3.740600      5.0999999E-02
 H  -0.5193000     -0.3583000      -1.447000    
 H   -1.185300      0.4729000     -3.3700000E-02
 H   -1.232300      -3.740800     -4.4199999E-02
 H  -0.5169000      -2.927600      -1.442000    
 H    2.605700      -1.636300       1.812400    
 H    3.283800      -2.563600      0.4917000    
 H   -2.608500      -1.643100      -1.808900    
 H   -3.284600      -2.565500     -0.4837000    
 H    3.129300      0.4975000      0.6151000    
 H   -3.130200      0.4952000     -0.6189000    
 H    4.414900      -1.339500      -1.511200    
 H    2.911500     -0.4407000      -1.777600    
 H   -4.412600      -1.333700       1.516300    
 H   -2.908900     -0.4338000       1.777000    
 H    6.999000      0.1064000       2.260600    
 H   -7.002200      9.7999997E-02  -2.257300    
 H    6.507400       2.333500      -2.152500    
 H   -6.504200       2.341800       2.146700    
 H    8.734300       1.678600       1.460300    
 H   -8.736400       1.673300      -1.460500    
 H    8.482000       2.800800     -0.7363000    
 H   -8.480700       2.803800      0.7315000    


%chk=000094342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094342

0 1
O 4.946540 -0.185967 1.127517
O -4.947435 -0.190240 -1.127187
O 5.227185 0.001371 -1.780337
O -5.226528 0.005361 1.780301
N 1.436628 -1.101546 0.203089
N -1.437011 -1.102706 -0.201950
C 0.623372 0.117800 0.446105
C 0.622367 -2.317683 0.453996
C -0.624036 0.115628 -0.450635
C -0.622601 -2.319776 -0.447692
C 2.723654 -1.099014 0.936592
C -2.724528 -1.103404 -0.934599
C 3.781709 -0.256957 0.207078
C -3.782188 -0.259054 -0.207134
C 4.223498 -0.867050 -1.127505
C -4.223547 -0.865277 1.129337
C 6.123497 0.308536 0.514583
C -6.123746 0.306812 -0.515050
C 6.253629 0.414391 -0.898715
C -6.253093 0.416678 0.898021
C 7.185974 0.706086 1.351465
C -7.186347 0.702849 -1.352493
C 7.432987 0.945746 -1.458984
C -7.431780 0.950452 1.457404
C 8.371087 1.225526 0.787070
C -8.370790 1.224736 -0.788948
C 8.490404 1.355498 -0.618462
C -8.489312 1.358670 0.616280
H 1.228811 1.013827 0.219857
H 0.301760 0.181013 1.515832
H 0.291758 -2.380296 1.520865
H 1.236180 -3.209604 0.230051
H -0.302479 0.173963 -1.520655
H -1.229618 1.012583 -0.228508
H -1.236243 -3.210832 -0.219859
H -0.292052 -2.386946 -1.514301
H 2.629358 -0.713050 1.979548
H 3.095575 -2.138233 1.010658
H -2.631171 -0.721068 -1.978965
H -3.096086 -2.143027 -1.004733
H 3.423963 0.777463 0.028638
H -3.424002 0.775739 -0.031731
H 4.662944 -1.871092 -0.959743
H 3.375298 -0.933431 -1.824214
H -4.663527 -1.869582 0.964565
H -3.375017 -0.930071 1.825799
H 7.061491 0.609091 2.434739
H -7.062476 0.602780 -2.435558
H 7.504088 1.019339 -2.548820
H -7.502279 1.027117 2.547068
H 9.192852 1.533282 1.441868
H -9.192643 1.531316 -1.444186
H 9.404522 1.766438 -1.059256
H -9.402899 1.771516 1.056393


