%chk=000043331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043331

0 1
 O   -1.796400      0.8944000     -0.1762000    
 O    5.928400      0.7101000      0.3020000    
 O  -0.4329000     -0.6210000      0.8604000    
 N   -5.388300      0.1096000      0.1420000    
 N   0.4204000       1.230000     -0.2910000    
 C   -6.535300       1.025000      0.1763000    
 C   -5.575600      -1.053300     -0.7363000    
 C   -7.850300      0.4185000      0.6759000    
 C   -6.472200      -2.114400     -9.9100001E-02
 C   -8.502500     -0.5120000     -0.3385000    
 C   -7.969200      -1.938500     -0.3292000    
 C   -4.186500      0.8504000     -0.2579000    
 C   -2.933300      0.1537000      0.2475000    
 C  -0.5698000      0.4001000      0.1979000    
 C    7.863200     -0.6394000     -0.1355000    
 C    8.476300      -2.034400     -5.2299999E-02
 C    6.447400     -0.6135000      0.4228000    
 C    1.819700       1.097100     -0.1416000    
 C    4.581200      0.8361000      0.1553000    
 C    9.873700      -2.065300     -0.6501000    
 C    2.674600       2.041400     -0.7102000    
 C    2.345600      2.2500001E-02  0.5755000    
 C    4.055400       1.911000     -0.5618000    
 C    3.726400     -0.1080000      0.7239000    
 H   -6.692500       1.484600     -0.8087000    
 H   -6.298900       1.844900      0.8677000    
 H   -4.619100      -1.553700     -0.9184000    
 H   -5.948000     -0.7583000      -1.725900    
 H   -7.710700     -8.2900003E-02   1.641000    
 H   -8.542700       1.250300      0.8598000    
 H   -6.188800      -3.099500     -0.4925000    
 H   -6.271500      -2.168200      0.9794000    
 H   -9.580600     -0.5562000     -0.1386000    
 H   -8.405000     -8.9400001E-02  -1.346400    
 H   -8.240500      -2.406500      -1.284200    
 H   -8.499300      -2.514000      0.4406000    
 H   -4.140900       1.004100      -1.344500    
 H   -4.183200       1.859200      0.1776000    
 H   -2.840900     -0.8644000     -0.1419000    
 H   -2.946600      0.1099000       1.343700    
 H    7.847600     -0.2935000      -1.176800    
 H    8.483800      8.2199998E-02  0.4103000    
 H    7.843700      -2.753100     -0.5862000    
 H    8.523600      -2.358400      0.9938000    
 H   0.1076000       2.037200     -0.8250000    
 H    5.847000      -1.334500     -0.1472000    
 H    6.454100     -0.8993000       1.481000    
 H    10.54230      -1.379500     -0.1199000    
 H    10.29440      -3.073200     -0.5785000    
 H    9.855200      -1.779400      -1.706600    
 H    2.277800       2.883600      -1.271200    
 H    1.745800     -0.7424000       1.049000    
 H    4.716500       2.649600      -1.006700    
 H    4.094200     -0.9429000       1.313100    


%chk=000043331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043331

0 1
O -1.875395 0.760686 -0.384460
O 5.999794 0.421152 -0.504514
O -0.517631 -0.998614 0.405864
N -5.540457 0.167452 0.084641
N 0.363808 0.970793 -0.582910
C -6.598617 1.104968 0.533639
C -5.982684 -0.832768 -0.927689
C -7.840479 0.436210 1.167466
C -6.802504 -1.991812 -0.313251
C -8.755355 -0.298796 0.155637
C -8.332339 -1.752430 -0.184404
C -4.289342 0.863789 -0.307023
C -3.073814 0.010183 0.077754
C -0.638477 0.130315 -0.133989
C 8.166961 -0.568960 -0.091449
C 8.972236 -1.775176 0.445642
C 6.657436 -0.778910 0.043849
C 1.770943 0.754460 -0.529960
C 4.595568 0.462693 -0.482068
C 10.496667 -1.569030 0.315778
C 2.613532 1.777734 -1.045283
C 2.356164 -0.417559 0.008295
C 4.010067 1.634936 -1.022064
C 3.761210 -0.560291 0.030759
H -6.954834 1.757052 -0.309129
H -6.138724 1.774799 1.285645
H -5.070239 -1.257155 -1.385639
H -6.554439 -0.345442 -1.758632
H -7.518192 -0.247384 1.976861
H -8.424823 1.246774 1.647662
H -6.645516 -2.905098 -0.921332
H -6.360621 -2.194449 0.680047
H -9.793470 -0.321527 0.542232
H -8.792632 0.307096 -0.773328
H -8.834350 -2.046617 -1.128011
H -8.721013 -2.437102 0.595714
H -4.247052 1.103411 -1.395877
H -4.225380 1.825116 0.233919
H -3.084191 -0.983847 -0.404459
H -3.021047 -0.134504 1.170512
H 8.411604 -0.396432 -1.157207
H 8.452320 0.349600 0.456513
H 8.675589 -2.692305 -0.103286
H 8.712724 -1.949655 1.509953
H 0.038918 1.849613 -0.991072
H 6.328305 -1.675619 -0.523137
H 6.368630 -0.908886 1.108539
H 10.825147 -0.676530 0.880606
H 11.055409 -2.440040 0.703896
H 10.787944 -1.422976 -0.741234
H 2.173379 2.690954 -1.465545
H 1.713208 -1.205737 0.405630
H 4.664966 2.418009 -1.415525
H 4.185486 -1.475749 0.453025


