%chk=000037005.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037005

0 1
 O    1.986400     -0.5352000       1.166200    
 O  -0.3893000      3.5799999E-02   2.848500    
 N  -0.8000000       1.221000      0.8487000    
 N    3.113400      -2.516400     -0.5339000    
 C    1.456500      0.7561000       1.395600    
 C    1.337000       1.498300      9.5700003E-02
 C  -8.1000002E-03   1.748300     -0.1804000    
 C  -1.4200000E-02  0.6063000       1.834300    
 C    2.272000       1.498900       2.444100    
 C   -2.241000       1.300800      0.8891000    
 C    2.328000       1.918000     -0.7756000    
 C  -0.4057000       2.421000      -1.323100    
 C    1.158300      -1.299400      0.2960000    
 C   -2.887100      0.1186000      0.2170000    
 C    1.945100       2.598800      -1.934000    
 C   0.5891000       2.848400      -2.205100    
 C    1.801500      -2.659900      7.9499997E-02
 C   -3.176600      0.1776000      -1.139200    
 C   -3.184000      -1.013700      0.9627000    
 C    3.012600      -1.810500      -1.813700    
 C    3.741300      -3.825700     -0.7271000    
 C   -3.775000     -0.9176000      -1.762100    
 C   -3.782400      -2.109000      0.3396000    
 C   -4.077800      -2.060700      -1.022800    
 H    3.313200       1.617600       2.123700    
 H    1.859800       2.492000       2.653800    
 H    2.295700      0.9367000       3.384700    
 H   -2.584900       2.245100      0.4512000    
 H   -2.553400       1.330600       1.941100    
 H    3.375600       1.725900     -0.5711000    
 H   -1.441300       2.647800      -1.539700    
 H   0.1946000      -1.512200      0.7726000    
 H   0.9465000     -0.8173000     -0.6618000    
 H    2.703200       2.940200      -2.633700    
 H    1.917900      -3.147000       1.056000    
 H    1.137300      -3.288100     -0.5279000    
 H   0.3138000       3.385100      -3.109100    
 H   -2.970700       1.062800      -1.729600    
 H   -2.959300      -1.063200       2.024200    
 H    3.975900      -1.836300      -2.337900    
 H    2.262600      -2.254800      -2.478400    
 H    2.795400     -0.7488000      -1.683600    
 H    3.845600      -4.347300      0.2309000    
 H    3.165400      -4.463900      -1.407200    
 H    4.753000      -3.712100      -1.132400    
 H   -4.009700     -0.8785000      -2.821800    
 H   -4.018300      -2.999200      0.9153000    
 H   -4.544700      -2.913100      -1.507500    


%chk=000037005-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037005

0 1
O 2.103509 -0.625484 1.436436
O -0.484317 0.061752 3.029389
N -0.890847 1.144088 0.964950
N 3.453488 -2.537857 -0.610941
C 1.416356 0.672485 1.458659
C 1.252693 1.312758 0.083699
C -0.120125 1.586332 -0.150019
C -0.073295 0.559781 1.949727
C 2.224988 1.522542 2.453599
C -2.347231 1.272402 1.108877
C 2.212539 1.630181 -0.885852
C -0.563715 2.197950 -1.336540
C 1.439929 -1.669419 0.633086
C -3.149697 0.412002 0.134220
C 1.787639 2.248548 -2.092044
C 0.417425 2.530298 -2.306024
C 2.449545 -2.806456 0.443097
C -4.240861 0.965673 -0.577799
C -2.839633 -0.960207 -0.039603
C 2.922534 -2.724473 -1.974188
C 4.715458 -3.272002 -0.398632
C -5.014542 0.163463 -1.448148
C -3.607781 -1.762410 -0.910472
C -4.698694 -1.203487 -1.618025
H 3.277539 1.559379 2.124880
H 1.831402 2.551801 2.510791
H 2.172388 1.056773 3.451851
H -2.633261 2.336343 1.000477
H -2.561762 0.967191 2.151591
H 3.266887 1.386512 -0.717939
H -1.623802 2.392928 -1.523448
H 0.549482 -2.040925 1.184758
H 1.113290 -1.255486 -0.342449
H 2.521871 2.504311 -2.863266
H 2.975549 -2.939471 1.406193
H 1.884811 -3.755502 0.244599
H 0.102455 3.005622 -3.241846
H -4.490892 2.026787 -0.448689
H -2.000949 -1.398702 0.514286
H 3.686535 -2.427467 -2.714711
H 2.624197 -3.784144 -2.189818
H 2.038045 -2.083247 -2.133925
H 5.127603 -3.021617 0.594595
H 4.604941 -4.385842 -0.459837
H 5.454258 -2.966135 -1.161661
H -5.857073 0.603936 -1.993049
H -3.360686 -2.822693 -1.035648
H -5.294993 -1.827013 -2.293386


