%chk=000040672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040672

0 1
 O   -3.026400     -0.4098000     -6.9799997E-02
 O    3.026300     -0.4111000     -7.0500001E-02
 O   -2.956000      0.7498000      -2.072300    
 O    2.955200      0.7478000      -2.073300    
 N   7.9999998E-04   2.640700      0.8223000    
 N  -1.0000000E-03  -3.654200       1.108000    
 C  -3.0000001E-04  0.2321000     -0.7608000    
 C   -1.263900       1.012400     -0.4336000    
 C    1.263800       1.011300     -0.4339000    
 C   -1.230900       2.143700      0.3108000    
 C    1.232000       2.142600      0.3106000    
 C  -6.0000003E-04  -1.144400     -9.8899998E-02
 C   -2.473300       2.961900      0.5968000    
 C    2.475300       2.959500      0.5964000    
 C   1.6000000E-03   3.693400       1.852400    
 C   -2.513400      0.4508000     -0.9805000    
 C    2.512800      0.4491000     -0.9813000    
 C  -2.4000001E-03  -2.285200     -0.8847000    
 C   1.0000000E-03  -1.242900       1.282900    
 C  -2.3000001E-03  -3.509700     -0.2362000    
 C   8.9999998E-04  -2.514000       1.834400    
 C   -4.250300      -1.042100     -0.4588000    
 C    4.250300      -1.043000     -0.4593000    
 C   -4.700400      -1.969100      0.6500000    
 C    4.700900      -1.969500      0.6497000    
 H  -5.0000002E-04  9.7400002E-02  -1.853400    
 H   -2.296000       4.022400      0.3883000    
 H   -2.776600       2.847200       1.642300    
 H   -3.327400       2.667400     -2.0400001E-02
 H    3.328900       2.664400     -2.1000000E-02
 H    2.778700       2.844400       1.641800    
 H    2.299000       4.020300      0.3881000    
 H   0.8698000       3.617800       2.514900    
 H  -0.8670000       3.619400       2.514600    
 H   2.4999999E-03   4.682100       1.381700    
 H  -3.5999999E-03  -2.238700      -1.967900    
 H   2.4000001E-03 -0.3728000       1.929400    
 H  -3.5999999E-03  -4.436700     -0.8000000    
 H   2.0999999E-03  -2.652300       2.910600    
 H   -5.015700     -0.2784000     -0.6368000    
 H   -4.088300      -1.616200      -1.378100    
 H    4.088600      -1.617400      -1.378400    
 H    5.015400     -0.2791000     -0.6375000    
 H   -5.634700      -2.471700      0.3850000    
 H   -3.935800      -2.726600      0.8521000    
 H   -4.849500      -1.412200       1.580900    
 H    5.635500      -2.471800      0.3848000    
 H    4.849800      -1.412300       1.580500    
 H    3.936700      -2.727300      0.8521000    


%chk=000040672-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040672

0 1
O -3.565714 0.500699 -0.763257
O 3.486124 0.433243 -0.945173
O -2.305379 -1.188113 -1.737468
O 2.246392 -1.385991 -1.677263
N 0.044718 1.473474 1.506618
N 0.091413 -4.047960 2.828741
C -0.040366 -0.774846 -0.135540
C -1.249664 0.148368 -0.029216
C 1.242705 0.061697 -0.028974
C -1.198530 1.204281 0.867051
C 1.271678 1.089328 0.903287
C -0.035392 -1.910845 0.909648
C -2.330978 2.147140 1.214129
C 2.493963 1.865067 1.344632
C 0.065217 2.333556 2.710991
C -2.374050 -0.240191 -0.907140
C 2.328361 -0.369111 -0.929079
C 0.780619 -3.053274 0.695099
C -0.794985 -1.878821 2.104942
C 0.811408 -4.078134 1.664369
C -0.698573 -2.950805 3.022004
C -4.683842 0.078273 -1.660338
C 4.560548 -0.018035 -1.880347
C -5.870230 0.984500 -1.344575
C 5.717371 0.965786 -1.730439
H -0.055629 -1.256888 -1.127166
H -1.978697 3.190739 1.291943
H -2.802758 1.878184 2.179856
H -3.110704 2.077357 0.446461
H 3.313298 1.686702 0.638942
H 2.832076 1.534161 2.346461
H 2.293466 2.950079 1.399419
H 0.919231 2.059018 3.347191
H -0.851841 2.172896 3.296491
H 0.141282 3.410640 2.466768
H 1.374128 -3.135019 -0.221015
H -1.470087 -1.043806 2.316953
H 1.429770 -4.970564 1.513046
H -1.279082 -2.942318 3.952703
H -4.346190 0.171103 -2.708262
H -4.900714 -0.987450 -1.466319
H 4.845557 -1.051706 -1.613754
H 4.146971 -0.032285 -2.904672
H -6.730353 0.706054 -1.980545
H -6.175023 0.883992 -0.288477
H -5.625347 2.043012 -1.540242
H 6.538788 0.680493 -2.412862
H 5.399362 1.992136 -1.982844
H 6.110081 0.963582 -0.698780


