%chk=000113722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113722

0 1
 O  -0.2334000      0.8470000       2.769500    
 N   -4.107800     -0.2885000     -0.1287000    
 N  -0.6408000       2.459400       1.200300    
 C  -0.2879000      0.1389000      0.4193000    
 C   -1.691900      9.2200004E-02 -0.2814000    
 C   -2.868200     -0.2793000      0.6339000    
 C   -5.267000     -0.6328000      0.6941000    
 C   -4.422400       1.021100     -0.6988000    
 C   -6.441000     -0.2061000     -0.1747000    
 C   -5.885100      0.8783000      -1.092500    
 C   7.8900002E-02  -1.265300       1.015900    
 C   0.8603000      0.5749000     -0.5246000    
 C  -0.3826000       1.160800       1.588900    
 C    2.149600      0.6731000     -4.8400000E-02
 C   0.4892000      0.8416000      -1.818600    
 C   0.2515000      -2.366200     -1.0000000E-03
 C    3.153300       1.076300     -0.9611000    
 C    1.476300       1.237800      -2.716100    
 C    2.502900      0.3942000       1.282000    
 C    1.331000      -3.141700     -0.2183000    
 C    2.800200       1.354900      -2.291500    
 C    4.480700       1.188800     -0.5164000    
 C    3.826700      0.5115000       1.706400    
 C    4.813800      0.9081000      0.8089000    
 C    2.577600      -2.953600      0.6060000    
 C    1.436200      -4.225400      -1.253200    
 H   -1.682400     -0.6167000      -1.119600    
 H   -1.893800       1.085100     -0.6981000    
 H   -2.933300      0.4136000       1.481100    
 H   -2.721900      -1.284000       1.041000    
 H   -5.280200     -6.8999998E-02   1.635800    
 H   -5.305800      -1.701500      0.9271000    
 H   -3.826400       1.262900      -1.584100    
 H   -4.312600       1.827600      3.7500001E-02
 H   -6.807900      -1.047200     -0.7745000    
 H   -7.274800      0.1635000      0.4308000    
 H   -6.426000       1.823100     -0.9773000    
 H   -5.979500      0.5622000      -2.138100    
 H   0.8626000      -1.300800       1.759000    
 H  -0.7658000      -1.587500       1.640100    
 H  -0.5081000      0.7697000      -2.228200    
 H  -0.6237000      -2.566400     -0.6167000    
 H    1.218200       1.455000      -3.748700    
 H    1.834900      0.1878000       2.095600    
 H  -0.7208000       3.199700       1.889400    
 H  -0.7463000       2.733300      0.2293000    
 H    3.555400       1.665800      -3.010500    
 H    5.268300       1.498200      -1.200400    
 H    4.085400      0.3161000       2.743200    
 H    5.843300       1.004400       1.141400    
 H    3.295900      -2.328700      6.6900000E-02
 H    2.410500      -2.542400       1.601600    
 H    3.055900      -3.925600      0.7781000    
 H    1.608900      -5.195800     -0.7769000    
 H   0.5199000      -4.302800      -1.847600    
 H    2.263200      -4.017800      -1.939800    


%chk=000113722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113722

0 1
O -0.607191 0.864631 2.947976
N -3.981503 -0.311142 -0.088883
N -0.249268 2.543026 1.398872
C -0.164078 0.193635 0.581882
C -1.543528 0.212227 -0.169486
C -2.772701 -0.056562 0.724517
C -5.153304 -0.764063 0.707118
C -4.483667 0.854641 -0.864698
C -6.317667 -0.712373 -0.309489
C -5.918964 0.438563 -1.295575
C 0.106749 -1.243567 1.184292
C 1.004347 0.593336 -0.353562
C -0.333403 1.211716 1.758739
C 2.337416 0.865033 0.171633
C 0.821443 0.634956 -1.744497
C -0.154243 -2.384968 0.225174
C 3.416833 1.164982 -0.754840
C 1.885674 0.931472 -2.649889
C 2.659938 0.848685 1.574317
C 0.767887 -3.136913 -0.445135
C 3.164000 1.192407 -2.165492
C 4.735445 1.431692 -0.255405
C 3.953694 1.110886 2.031064
C 5.007345 1.405140 1.112096
C 2.271464 -2.940705 -0.366404
C 0.325835 -4.272313 -1.355780
H -1.534673 -0.565827 -0.953549
H -1.666524 1.191343 -0.671839
H -2.930848 0.797782 1.430754
H -2.594971 -0.952009 1.347473
H -5.359009 -0.073915 1.566411
H -4.976051 -1.773672 1.118768
H -3.827105 1.069960 -1.725918
H -4.522701 1.776408 -0.226313
H -6.389920 -1.670683 -0.851657
H -7.286469 -0.529059 0.187099
H -6.612109 1.295952 -1.235536
H -5.928434 0.075502 -2.337407
H 1.144238 -1.279954 1.554855
H -0.536620 -1.339800 2.078657
H -0.161983 0.421920 -2.169298
H -1.213948 -2.641568 0.072093
H 1.684923 0.945467 -3.726771
H 1.884554 0.636704 2.314774
H -0.383924 3.252486 2.118791
H 0.061889 2.821485 0.468710
H 3.990866 1.418627 -2.849255
H 5.530871 1.656714 -0.976303
H 4.161079 1.091151 3.106596
H 6.017736 1.608211 1.483335
H 2.675636 -2.652158 -1.357434
H 2.572804 -2.161909 0.351501
H 2.772653 -3.887534 -0.082474
H 0.736984 -5.242424 -1.011069
H -0.773780 -4.360812 -1.397794
H 0.699482 -4.121010 -2.388445


