%chk=000066870.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066870

0 1
 O   -6.522700      0.9040000      -1.170700    
 O    6.525200      0.9049000       1.169500    
 O   -5.659700      2.2100000E-02  0.7898000    
 O    5.660300      2.2000000E-02 -0.7897000    
 N   -4.593800     -0.2904000      -1.276300    
 N    4.593800     -0.2852000       1.276900    
 C  -1.3100000E-02  -3.390300     -1.9999999E-04
 C   -1.217000      -2.576200     -0.3348000    
 C    1.212200      -2.565200      0.3387000    
 C   -2.103000      -2.193500      0.6723000    
 C    2.098900      -2.185800     -0.6690000    
 C   -1.456700      -2.197100      -1.655600    
 C    1.452700      -2.184600       1.659000    
 C   -3.468000      -1.052500     -0.9622000    
 C    3.466300      -1.045300      0.9638000    
 C   -3.228400      -1.431600      0.3587000    
 C    3.226000      -1.425800     -0.3564000    
 C   -2.582200      -1.435300      -1.969300    
 C    2.579700      -1.424700       1.971600    
 C   -5.586300      0.1861000     -0.4227000    
 C    5.587300      0.1879000      0.4226000    
 C   -7.571200       1.431700     -0.4100000    
 C    7.574900       1.429300      0.4082000    
 C   -7.457900       2.706700      0.1441000    
 C    7.464300       2.703800     -0.1480000    
 C   -8.729800      0.6826000     -0.2049000    
 C    8.731800      0.6774000      0.2041000    
 C   -8.503200       3.232600      0.9036000    
 C    8.510700       3.226400     -0.9081000    
 C   -9.775100       1.208400      0.5543000    
 C    9.778200       1.200000     -0.5560000    
 C   -9.661700       2.483500       1.108600    
 C    9.667500       2.474400      -1.112100    
 H  -0.2380000      -4.066400      0.8364000    
 H   0.2248000      -4.068000     -0.8318000    
 H   -1.927600      -2.482800       1.705300    
 H    1.922300      -2.476800      -1.701200    
 H  -0.7750000      -2.488700      -2.450300    
 H   0.7699000      -2.474100       2.453400    
 H   -3.868700      -1.172900       1.190700    
 H    3.866800      -1.169700      -1.188700    
 H   -2.756600      -1.146900      -3.002900    
 H    2.754800      -1.135200       3.004700    
 H   -4.706500     -4.9699999E-02  -2.258200    
 H    4.707000     -4.3299999E-02   2.258400    
 H   -6.558000       3.295000     -1.2400000E-02
 H    6.565500       3.294200      7.7999998E-03
 H   -8.823900     -0.3110000     -0.6343000    
 H    8.823800     -0.3158000      0.6348000    
 H   -8.414900       4.225400       1.335100    
 H    8.424500       4.218700      -1.341000    
 H   -10.67720      0.6252000      0.7141000    
 H    10.67910      0.6145000     -0.7148000    
 H   -10.47550       2.892900       1.699800    
 H    10.48230       2.881200      -1.703900    


%chk=000066870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066870

0 1
O -6.966315 0.969822 -0.298439
O 6.971337 0.963052 0.284662
O -6.391302 -0.831521 1.160242
O 6.378975 -0.840290 -1.165121
N -4.912473 0.096306 -0.438976
N 4.919091 0.090299 0.449512
C -0.000768 -2.963246 0.032457
C -1.287088 -2.143791 -0.055108
C 1.288038 -2.147021 0.105922
C -2.401606 -2.443829 0.764714
C 2.393576 -2.448755 -0.725221
C -1.418122 -1.081468 -0.987114
C 1.429854 -1.084011 1.035705
C -3.729199 -0.676445 -0.270472
C 3.733446 -0.681540 0.294282
C -3.615573 -1.729739 0.671741
C 3.609144 -1.735570 -0.645652
C -2.618940 -0.357622 -1.097965
C 2.632261 -0.361038 1.133300
C -6.106534 -0.023477 0.246783
C 6.105380 -0.031074 -0.249293
C -8.309061 1.197141 0.124735
C 8.309789 1.190137 -0.152441
C -8.994385 0.459238 1.117996
C 8.982116 0.458826 -1.159371
C -8.933156 2.264280 -0.560903
C 8.943565 2.251690 0.532987
C -10.330648 0.816695 1.414235
C 10.315072 0.816997 -1.469329
C -10.266026 2.602865 -0.249633
C 10.272865 2.591186 0.207806
C -10.972444 1.879824 0.740972
C 10.966378 1.874530 -0.796435
H -0.067011 -3.624048 0.920066
H 0.062366 -3.639432 -0.843745
H -2.325631 -3.257380 1.496865
H 2.309233 -3.263020 -1.455644
H -0.568469 -0.816652 -1.626887
H 0.587225 -0.817962 1.684252
H -4.463202 -1.976356 1.313980
H 4.449770 -1.983576 -1.296535
H -2.697728 0.458585 -1.827770
H 2.719515 0.455699 1.861557
H -4.896500 0.830189 -1.150538
H 4.911258 0.825045 1.160317
H -8.501104 -0.361218 1.639735
H 8.481931 -0.357850 -1.680473
H -8.368375 2.809515 -1.323156
H 8.388943 2.792073 1.306107
H -10.869236 0.250652 2.182354
H 10.843389 0.255896 -2.248161
H -10.750096 3.429613 -0.780710
H 10.764219 3.413608 0.738932
H -12.007686 2.142448 0.982900
H 11.998839 2.137821 -1.049228


