%chk=000042354.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042354

0 1
 O  -0.6276000       2.964500     -0.7225000    
 O   -5.228600       1.127900      0.2336000    
 O   -2.215100      -2.589800      0.4273000    
 O   -4.800100      -1.596900      0.4891000    
 N    4.375500      -1.880500      9.4999997E-03
 N   0.7482000       1.463200      0.3869000    
 C    3.588300      0.7547000      -1.013400    
 C    4.441900      0.6058000      0.2601000    
 C    2.724100       2.027000     -0.9768000    
 C    3.591100      0.7293000       1.534500    
 C    1.949500       2.259100      0.3262000    
 C    2.770900     -0.5178000      -1.284800    
 C    5.238900     -0.7116000      0.2279000    
 C    2.824300       2.050800       1.563900    
 C    3.655900      -1.765700      -1.265800    
 C    5.163700      -3.112400      4.2199999E-02
 C  -0.4563000       1.890900     -0.1511000    
 C   -1.607100      0.9665000      1.7200001E-02
 C   -1.363100     -0.3853000      0.1428000    
 C   -2.883000       1.490100      4.4199999E-02
 C   -3.963600      0.6228000      0.2042000    
 C   -2.443800      -1.252600      0.3026000    
 C   -3.744100     -0.7486000      0.3334000    
 C   -5.912300       1.236300      -1.013300    
 C  -0.8565000      -3.021600      0.3854000    
 C   -4.971100      -2.606100     -0.5034000    
 H    4.279000      0.8665000      -1.862200    
 H    5.172100       1.427300      0.2747000    
 H    2.045700       2.043100      -1.838900    
 H    3.402300       2.881400      -1.109700    
 H    2.889400     -0.1080000       1.622500    
 H    4.242600      0.6799000       2.415600    
 H    1.625900       3.308200      0.3313000    
 H    1.980400     -0.6458000     -0.5408000    
 H    2.275600     -0.4395000      -2.259900    
 H    6.001400     -0.6490000     -0.5607000    
 H    5.775900     -0.8192000       1.178900    
 H    3.549700       2.872300       1.626900    
 H    2.215400       2.098600       2.475000    
 H    4.355600      -1.736400      -2.111500    
 H    3.010900      -2.641500      -1.408300    
 H   0.8020000      0.5945000      0.9060000    
 H    4.514600      -3.987400     -7.5300001E-02
 H    5.924800      -3.138900     -0.7460000    
 H    5.665100      -3.222600       1.010100    
 H  -0.3498000     -0.7524000      6.5800004E-02
 H   -3.063300       2.557400     -4.9300000E-02
 H   -6.024000      0.2528000      -1.480100    
 H   -6.907300       1.647900     -0.8237000    
 H   -5.376300       1.912800      -1.686600    
 H  -0.8617000      -4.109300      0.5123000    
 H  -0.3980000      -2.820300     -0.5890000    
 H  -0.2735000      -2.609900       1.216500    
 H   -6.044400      -2.779500     -0.6254000    
 H   -4.513200      -3.541400     -0.1697000    
 H   -4.561800      -2.305600      -1.474300    


%chk=000042354-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042354

0 1
O -0.303021 3.038538 -0.891226
O -5.084770 1.450690 -0.367085
O -2.394175 -2.579441 0.417905
O -4.908667 -1.420695 0.231774
N 4.373590 -1.865979 -0.125766
N 0.872239 1.564513 0.465368
C 3.736149 0.893148 -0.958024
C 4.544960 0.596297 0.341933
C 2.941745 2.221046 -0.838404
C 3.651895 0.668470 1.605057
C 2.106613 2.382757 0.465262
C 2.864946 -0.326055 -1.359661
C 5.290586 -0.752112 0.219740
C 2.954380 2.045869 1.713892
C 3.708072 -1.613258 -1.427194
C 5.057576 -3.172838 -0.090667
C -0.261897 1.950660 -0.229655
C -1.443755 1.018616 -0.134688
C -1.294243 -0.376089 0.092007
C -2.726391 1.567592 -0.303635
C -3.881788 0.752052 -0.230531
C -2.439650 -1.194531 0.171571
C -3.752620 -0.645777 0.020988
C -6.313081 0.779340 -0.825634
C -1.084890 -3.173511 0.696958
C -5.118984 -2.576872 -0.666507
H 4.477569 1.027783 -1.777285
H 5.319542 1.388357 0.443664
H 2.270713 2.355237 -1.707135
H 3.660943 3.065835 -0.860815
H 2.918090 -0.160982 1.583064
H 4.275065 0.499368 2.505346
H 1.774882 3.438394 0.508529
H 2.045533 -0.477657 -0.635091
H 2.393080 -0.134599 -2.343169
H 6.099065 -0.649566 -0.554788
H 5.786446 -0.995037 1.179849
H 3.730527 2.829730 1.818789
H 2.322542 2.100786 2.622190
H 4.463110 -1.521584 -2.255050
H 3.064903 -2.481750 -1.666503
H 0.823618 0.761439 1.093733
H 4.333884 -3.979305 -0.308172
H 5.895596 -3.254574 -0.829974
H 5.475631 -3.349040 0.916922
H -0.297742 -0.823025 0.156237
H -2.838679 2.635013 -0.510320
H -6.723061 0.119803 -0.045579
H -7.006271 1.606244 -1.046346
H -6.126471 0.194270 -1.746894
H -1.290304 -4.233693 0.906073
H -0.406965 -3.090560 -0.174941
H -0.612878 -2.703071 1.580923
H -6.074685 -3.018706 -0.345177
H -4.300361 -3.306258 -0.558198
H -5.193040 -2.239282 -1.719565


