%chk=000117567.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117567

0 1
 O   -1.815100      -1.960400      0.3912000    
 O    1.814700       1.960500      0.3851000    
 O  -1.0700000E-02  -3.764500      0.3861000    
 O   1.0600000E-02   3.764600      0.3873000    
 N   -3.795900     -0.2962000      0.3887000    
 N    3.795700      0.2962000      0.3879000    
 C   -1.407000      0.3591000      0.3888000    
 C    1.406800     -0.3590000      0.3878000    
 C  -0.4535000       1.379400      0.3881000    
 C   0.4533000      -1.379200      0.3882000    
 C  -0.9884000      -1.057500      0.3889000    
 C   0.9881000       1.057600      0.3874000    
 C   -2.770400      0.6775000      0.3891000    
 C    2.770100     -0.6774000      0.3876000    
 C   0.8632000      -2.717900      0.3877000    
 C  -0.8634000       2.718100      0.3878000    
 C   -3.174500       2.012800      0.3886000    
 C    3.174300      -2.012700      0.3874000    
 C    2.222800      -3.030800      0.3873000    
 C   -2.223000       3.030900      0.3881000    
 C   -5.102300     -0.3001000     -0.1309000    
 C    5.102300      0.3000000     -0.1309000    
 C   -6.100600      -1.058000      0.4861000    
 C    6.100400       1.058000      0.4867000    
 C   -5.408700      0.4545000      -1.265900    
 C    5.409400     -0.4546000      -1.265800    
 C   -7.397100      -1.061600     -2.8600000E-02
 C    7.397100       1.061300     -2.7300000E-02
 C   -6.705100      0.4513000      -1.780600    
 C    6.706200     -0.4515000      -1.779800    
 C   -7.699300     -0.3068000      -1.161900    
 C    7.699900      0.3066000      -1.160400    
 H   -4.222200       2.299100      0.4209000    
 H    4.222000      -2.299000      0.4195000    
 H    2.548600      -4.067800      0.3938000    
 H   -2.548700       4.067900      0.3948000    
 H   -3.557300      -1.140100      0.9009000    
 H    3.556900       1.140000      0.9000000    
 H  -0.9265000      -3.449100      0.3807000    
 H   0.9263000       3.449200      0.3907000    
 H   -5.878600      -1.649900       1.370700    
 H    5.877900       1.649800       1.371100    
 H   -4.650400       1.033900      -1.785600    
 H    4.651500      -1.034000      -1.786000    
 H   -8.171100      -1.651900      0.4529000    
 H    8.170900       1.651600      0.4548000    
 H   -6.939300       1.034000      -2.666700    
 H    6.941000      -1.034200      -2.665700    
 H   -8.708200     -0.3104000      -1.563600    
 H    8.709200      0.3103000      -1.561600    


%chk=000117567-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117567

0 1
O -1.869788 -2.056332 0.224088
O 1.869943 2.055743 0.224581
O -0.081847 -3.764086 0.226021
O 0.081984 3.763531 0.226613
N -3.783292 -0.327897 0.094331
N 3.783322 0.327516 0.095039
C -1.431847 0.328391 0.162438
C 1.431961 -0.328930 0.162542
C -0.432352 1.367877 0.184904
C 0.432473 -1.368422 0.184678
C -0.991218 -1.052008 0.189750
C 0.991340 1.051456 0.190078
C -2.832503 0.680453 0.127084
C 2.832623 -0.680945 0.127272
C 0.829787 -2.742777 0.204959
C -0.829656 2.742234 0.205397
C -3.188830 2.072336 0.188512
C 3.188961 -2.072842 0.188401
C 2.218115 -3.070494 0.227755
C -2.217980 3.069968 0.228163
C -5.178443 -0.239902 -0.147752
C 5.178483 0.239933 -0.147171
C -6.014724 -1.213906 0.466069
C 6.014604 1.213510 0.467545
C -5.759663 0.712948 -1.030504
C 5.759862 -0.711941 -1.030878
C -7.402063 -1.220688 0.218829
C 7.401938 1.220777 0.220292
C -7.151331 0.703557 -1.262024
C 7.151523 -0.702069 -1.262421
C -7.982456 -0.255661 -0.638238
C 7.982491 0.256683 -0.637712
H -4.243430 2.350804 0.248273
H 4.243545 -2.351322 0.248313
H 2.494606 -4.126858 0.291290
H -2.494464 4.126325 0.291844
H -3.351938 -1.277711 0.205193
H 3.351873 1.277184 0.206747
H -1.028607 -3.299495 0.227811
H 1.028731 3.298923 0.228106
H -5.568492 -1.952122 1.142065
H 5.568252 1.950999 1.144254
H -5.125427 1.421600 -1.571410
H 5.125750 -1.420134 -1.572524
H -8.031837 -1.976210 0.701187
H 8.031583 1.975952 0.703362
H -7.584187 1.438360 -1.950000
H 7.584495 -1.436107 -1.951140
H -9.061211 -0.258932 -0.825558
H 9.061241 0.260333 -0.825055


