%chk=000046751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046751

2 1
 O   -1.164500     -0.4598000     -0.1481000    
 N    2.248700      0.8407000      0.4236000    
 N   -4.895400     -0.4356000     -6.4900003E-02
 C    3.591400      0.5614000     -0.2651000    
 C    1.207200     -0.1061000     -4.8599999E-02
 C    1.846600       2.289600      0.1165000    
 C    2.453900      0.7131000       1.939200    
 C    4.034100     -0.8568000      6.2399998E-02
 C  -0.1634000      0.4585000      0.2690000    
 C    1.637700       2.443300      -1.374200    
 C   -3.500200     -0.9823000     -0.3310000    
 C    5.392600      -1.166300     -0.5657000    
 C   -2.469800      2.9300001E-02  0.1307000    
 C   -5.072600      0.8838000     -0.8027000    
 C   -5.075200     -0.2092000       1.429300    
 C   -5.933500      -1.434500     -0.5553000    
 C    5.862400      -2.569000     -0.2151000    
 H    4.315800       1.305900      8.4700003E-02
 H    3.462400      0.6560000      -1.347100    
 H    1.332800      -1.074600      0.4506000    
 H    1.318500     -0.2896000      -1.124000    
 H   0.9785000       2.578500      0.7171000    
 H    2.675100       2.929700      0.4456000    
 H    1.606800       1.184400       2.446600    
 H    3.375500       1.235000       2.214500    
 H    2.492400     -0.3412000       2.224200    
 H    3.317300      -1.596300     -0.3096000    
 H    4.138600      -1.011800       1.140100    
 H  -0.3908000       1.391600     -0.2477000    
 H  -0.2773000      0.6175000       1.347200    
 H    2.588000       2.479000      -1.916500    
 H   0.9998000       1.703600      -1.859600    
 H    1.168400       3.418000      -1.556100    
 H   -3.406900      -1.183100      -1.405200    
 H   -3.392900      -1.935600      0.2004000    
 H    5.329700      -1.069100      -1.655900    
 H    6.138300     -0.4419000     -0.2176000    
 H   -2.573700      0.9831000     -0.3926000    
 H   -2.529800      0.2030000       1.208700    
 H   -6.136200       1.142800     -0.7779000    
 H   -4.746900      0.7554000      -1.839200    
 H   -4.514500       1.678100     -0.3010000    
 H   -6.134100      3.9999999E-04   1.613100    
 H   -4.489100      0.6532000       1.755400    
 H   -4.778300      -1.117800       1.961100    
 H   -5.787200      -2.376000     -1.7500000E-02
 H   -6.930700      -1.031700     -0.3539000    
 H   -5.791400      -1.580200      -1.630200    
 H    5.153900      -3.321800     -0.5750000    
 H    5.970800      -2.688400      0.8676000    
 H    6.834200      -2.769300     -0.6772000    


%chk=000046751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046751

2 1
O -1.226015 0.028697 0.030626
N 2.388459 1.083703 0.438995
N -4.950707 -0.670598 -0.084463
C 3.612570 0.408540 -0.264547
C 1.103351 0.381700 -0.025575
C 2.384207 2.602417 0.083367
C 2.552949 0.968961 1.955325
C 3.897698 -1.053366 0.112245
C -0.213717 0.996333 0.486185
C 2.235414 2.937418 -1.403610
C -3.417284 -0.770243 -0.219165
C 5.140542 -1.557988 -0.675421
C -2.609726 0.421165 0.333410
C -5.499177 0.522852 -0.871715
C -5.371271 -0.556072 1.383517
C -5.549399 -1.959898 -0.667241
C 5.484856 -3.022108 -0.330907
H 4.479407 1.045859 -0.011374
H 3.425052 0.491935 -1.348094
H 1.159914 -0.663034 0.319381
H 1.107138 0.378202 -1.127011
H 1.568410 3.053621 0.674166
H 3.337222 2.995086 0.478739
H 1.822751 1.621539 2.456672
H 3.570025 1.291185 2.225794
H 2.401822 -0.073599 2.268057
H 3.042687 -1.711911 -0.133789
H 4.106956 -1.159320 1.192805
H -0.413917 1.992629 0.041953
H -0.239706 1.079694 1.592224
H 3.075960 2.574577 -2.016098
H 1.289258 2.576274 -1.842161
H 2.231200 4.037988 -1.496618
H -3.194076 -0.889185 -1.292920
H -3.106845 -1.690550 0.303633
H 4.952815 -1.467609 -1.763849
H 6.010423 -0.910942 -0.446794
H -2.857023 1.374371 -0.177482
H -2.741737 0.548891 1.427323
H -6.598819 0.495700 -0.834909
H -5.161929 0.450635 -1.917038
H -5.144196 1.460913 -0.421295
H -6.468784 -0.613998 1.442616
H -5.036843 0.408158 1.792743
H -4.926087 -1.386912 1.951946
H -5.179183 -2.822064 -0.091990
H -6.646156 -1.907683 -0.596275
H -5.248189 -2.053580 -1.721570
H 4.651692 -3.704303 -0.580941
H 5.715481 -3.141508 0.743355
H 6.369525 -3.355672 -0.899124


