%chk=000043450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043450

0 1
 O    1.356600       1.218500      0.5254000    
 O    2.552200      0.6922000      -1.363200    
 N   -1.794700      0.7732000     -0.6130000    
 N    3.530600      0.6945000      0.7412000    
 C   -2.666300     -0.2352000     -3.5000001E-03
 C   0.1794000       1.419400     -0.2829000    
 C  -0.4693000      0.1693000     -0.8939000    
 C   -1.156400       1.578400      0.4570000    
 C   -3.794400      0.4443000      0.8213000    
 C   -3.330100      -1.074300      -1.130300    
 C   -1.864300      -1.120800      0.8708000    
 C   -4.675500       1.430300      5.6800000E-02
 C   -4.237800      -2.208300     -0.6554000    
 C    2.489100      0.8525000     -0.1489000    
 C   -1.215200      -1.839800       1.581100    
 C    4.867600      0.3103000      0.3510000    
 C    4.975500      -1.178000      0.3800000    
 C    5.253000      -1.926500     -0.6936000    
 H   0.3388000       2.226700      -1.012700    
 H  -0.1077000     -0.7639000     -0.4583000    
 H  -0.2788000      7.1199998E-02  -1.971100    
 H   -1.519300       2.610900      0.5090000    
 H   -1.124000       1.188600       1.481600    
 H   -4.440600     -0.3130000       1.283200    
 H   -3.370500      0.9807000       1.681100    
 H   -3.892300     -0.4329000      -1.819700    
 H   -2.544000      -1.538700      -1.743400    
 H   -5.380800       1.904600      0.7478000    
 H   -5.267400      0.9316000     -0.7154000    
 H   -4.088100       2.225700     -0.4106000    
 H   -3.721300      -2.898800      1.7000001E-02
 H   -4.577900      -2.788900      -1.520000    
 H   -5.132300      -1.830600     -0.1530000    
 H  -0.6385000      -2.476600       2.210200    
 H    3.342300      0.8457000       1.727700    
 H    5.086400      0.7204000     -0.6407000    
 H    5.564600      0.7509000       1.070400    
 H    4.831000      -1.675100       1.336100    
 H    5.324200      -3.005200     -0.6075000    
 H    5.411400      -1.481600      -1.669700    


%chk=000043450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043450

0 1
O 1.415892 0.834430 0.573548
O 2.779675 1.041945 -1.350605
N -1.805931 0.538498 -0.335262
N 3.663530 0.575604 0.780294
C -2.906377 -0.332490 0.183460
C 0.236814 1.135560 -0.245347
C -0.523754 -0.080592 -0.855379
C -1.020022 1.415356 0.617811
C -4.019588 0.595982 0.774669
C -3.417873 -1.192574 -1.015548
C -2.410274 -1.230154 1.272833
C -4.674464 1.538095 -0.255418
C -4.598906 -2.125161 -0.681588
C 2.652738 0.829102 -0.118484
C -1.913135 -1.922535 2.166496
C 5.064260 0.421043 0.344142
C 5.464208 -1.030435 0.126792
C 5.882866 -1.531563 -1.060733
H 0.486454 1.911347 -0.985251
H -0.242562 -1.019889 -0.332747
H -0.480059 -0.213573 -1.947520
H -1.375453 2.456685 0.686878
H -0.900933 0.977641 1.631754
H -4.783400 -0.040582 1.258262
H -3.562013 1.192979 1.587550
H -3.688952 -0.493703 -1.827786
H -2.570710 -1.800700 -1.387997
H -5.341564 2.257925 0.253252
H -5.283782 0.982788 -0.991280
H -3.905351 2.102641 -0.810257
H -4.344131 -2.806526 0.150080
H -4.859285 -2.743776 -1.559589
H -5.502678 -1.557849 -0.393973
H -1.506016 -2.540355 2.945724
H 3.400556 0.407629 1.751773
H 5.182034 0.988566 -0.594132
H 5.714842 0.886677 1.110003
H 5.398033 -1.689646 1.005747
H 6.166810 -2.584138 -1.173247
H 5.943701 -0.902553 -1.957024


