%chk=000065549.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065549

0 1
 O   -1.339700       1.236000     -0.6638000    
 O    1.088500       1.367200      9.9999998E-03
 N  -0.9869000      -2.267300     -9.5299996E-02
 N   -2.854600     -9.6900001E-02  0.4514000    
 N    2.934900     -1.3900000E-02  6.3500002E-02
 N    1.231100      -2.201200     -4.1000000E-03
 C  -0.6523000     -0.9425000     -8.3499998E-02
 C   0.6998000     -0.9571000     -2.7300000E-02
 C   -1.589000      0.1323000     -0.1241000    
 C    1.562900      0.2318000      6.0000001E-03
 C   -3.919000      0.8808000      0.4639000    
 C    3.904600       1.042800      0.1320000    
 C   0.1760000      -2.984400     -4.6100002E-02
 C   -3.498200       2.167800     -0.2151000    
 C    3.241800       2.404800      0.1325000    
 H   -1.921400      -2.651700     -0.1375000    
 H   -4.781900      0.4364000     -4.1200001E-02
 H   -4.190100       1.060900       1.508700    
 H    4.493100      0.8958000       1.042800    
 H    4.574700      0.9358000     -0.7266000    
 H   -3.044500     -0.9923000      0.8916000    
 H    3.269200     -0.9734000      6.4999998E-02
 H   0.1847000      -4.065000     -4.5100000E-02
 H   -2.692000       2.691400      0.3094000    
 H   -3.301200       2.049100      -1.285800    
 H   -4.350600       2.858800     -0.1677000    
 H    2.714900       2.633100     -0.8002000    
 H    2.631300       2.591600       1.022400    
 H    4.039900       3.157600      0.1863000    


%chk=000065549-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065549

0 1
O -3.102843 -0.881665 -1.528763
O 0.335757 1.342920 0.729747
N -0.712892 -2.180973 -1.656555
N -2.188687 0.880553 -0.257434
N 2.388384 0.221649 0.645144
N 1.363551 -1.822554 -0.871630
C -0.785454 -0.975544 -0.960999
C 0.521713 -0.763900 -0.475138
C -2.123120 -0.306918 -0.928460
C 1.058692 0.351020 0.342587
C -3.448042 1.630125 -0.129495
C 3.144798 1.208208 1.427928
C 0.582315 -2.658737 -1.583885
C -4.115336 1.430554 1.250050
C 4.293435 1.844602 0.617014
H -1.543157 -2.570074 -2.114808
H -3.231739 2.702248 -0.295225
H -4.124658 1.284794 -0.930210
H 2.422527 1.977264 1.749990
H 3.547375 0.720506 2.337548
H -1.310353 1.225368 0.200360
H 2.848257 -0.616146 0.267884
H 0.909185 -3.586398 -2.045584
H -4.375977 0.368881 1.402242
H -3.442074 1.745139 2.067693
H -5.042579 2.029183 1.315451
H 5.016991 1.082543 0.272836
H 3.899660 2.372379 -0.268751
H 4.840271 2.573272 1.242563


