%chk=000045976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045976

1 1
 O    2.713800      0.2385000     -0.9918000    
 O    3.202000      0.2245000       1.281400    
 N   -2.559100       1.646400      0.2589000    
 N    4.839100     -0.2631000     -0.2883000    
 C   -1.851100      -1.178700      5.7999998E-02
 C   -2.032000      -2.072800      -1.181700    
 C   -1.510600      -2.137600       1.217700    
 C   -2.274100      -3.466000     -0.6211000    
 C   -1.351200      -3.514700      0.5838000    
 C  -0.8377000     -7.8199998E-02 -0.1644000    
 C   -1.199200       1.266400     -6.3299999E-02
 C   0.4787000     -0.4221000     -0.4764000    
 C  -0.2472000       2.263900     -0.2736000    
 C   -3.006300       1.067900       1.630800    
 C   -3.638400       1.159800     -0.7574000    
 C   -2.724200       3.190900      0.3161000    
 C    1.430800      0.5755000     -0.6868000    
 C    1.067800       1.918400     -0.5854000    
 C    3.565200      7.6399997E-02  0.1183000    
 C    5.933600     -0.4955000      0.6251000    
 H   -2.836300     -0.8644000      0.3447000    
 H   -1.141700      -2.094200      -1.821000    
 H   -2.862800      -1.743100      -1.813700    
 H   -2.342300      -2.165200       1.934100    
 H  -0.6177000      -1.851900       1.783800    
 H   -2.051200      -4.251400      -1.348800    
 H   -3.318900      -3.573300     -0.3068000    
 H   -1.611400      -4.321100       1.275400    
 H  -0.3142000      -3.664400      0.2611000    
 H   0.7801000      -1.463700     -0.5533000    
 H  -0.4380000       3.328800     -0.2186000    
 H   -3.865100      0.4003000       1.515900    
 H   -2.163800      0.5833000       2.132600    
 H   -3.326200       1.903600       2.263200    
 H   -3.317600       1.498200      -1.748600    
 H   -4.582300       1.653100     -0.4989000    
 H   -3.821900      9.3699999E-02 -0.7793000    
 H   -2.522700       3.612600     -0.6742000    
 H   -2.081600       3.593900       1.106000    
 H   -3.765900       3.406700      0.5807000    
 H    1.805500       2.699400     -0.7496000    
 H    5.017100     -0.3542000      -1.283800    
 H    6.726600      0.2206000      0.3962000    
 H    6.304700      -1.510000      0.4614000    
 H    5.617500     -0.3791000       1.664400    


%chk=000045976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045976

1 1
O 2.866773 0.915633 -0.142749
O 3.086612 -1.468682 0.024907
N -2.828141 1.742074 0.094943
N 4.925381 -0.016510 -0.197142
C -1.631590 -1.224817 0.207591
C -1.410451 -2.232753 -0.964125
C -1.300274 -2.079513 1.480945
C -2.029830 -3.538624 -0.413277
C -1.629767 -3.560566 1.094749
C -0.829515 0.079410 0.094751
C -1.319289 1.421674 0.039784
C 0.580122 -0.095370 0.036527
C -0.423451 2.514496 -0.068877
C -3.430226 1.259095 1.425537
C -3.549740 1.125019 -1.115069
C -3.125559 3.245272 0.030075
C 1.468482 0.994439 -0.073772
C 0.962124 2.312654 -0.126661
C 3.605832 -0.336071 -0.092644
C 5.983749 -1.037070 -0.180995
H -2.720168 -1.039045 0.234362
H -0.329279 -2.366941 -1.150425
H -1.867355 -1.896950 -1.913942
H -1.872611 -1.735484 2.362806
H -0.232601 -1.974418 1.738795
H -1.675197 -4.430244 -0.957049
H -3.131387 -3.509244 -0.519556
H -2.437375 -3.979657 1.719006
H -0.740665 -4.195624 1.250906
H 0.994767 -1.103213 0.080582
H -0.772279 3.546556 -0.110923
H -4.506614 1.493348 1.432968
H -3.279144 0.181237 1.541969
H -2.916582 1.789429 2.240882
H -3.132505 1.580097 -2.025449
H -4.626516 1.343566 -1.035664
H -3.385157 0.043326 -1.142190
H -2.754350 3.660154 -0.917290
H -2.663231 3.755949 0.886193
H -4.218446 3.366829 0.078519
H 1.652189 3.155762 -0.210892
H 5.168557 0.971306 -0.286474
H 6.656781 -0.890272 0.681861
H 6.575581 -1.000074 -1.112141
H 5.512145 -2.028081 -0.098551


