%chk=000108053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108053

0 1
 O   0.4350000      0.4030000     -0.3980000    
 O    3.916800     -0.2656000     -0.8480000    
 O    1.833800       1.194700       1.782600    
 O    1.846000      0.5825000      -2.205000    
 N   -3.736800      8.9199997E-02  0.9228000    
 C   -2.438600     -0.3386000      0.3184000    
 C   -2.752200      -1.565100     -0.5377000    
 C   -4.794600     -0.6546000      0.2232000    
 C   -4.136900      -1.985600     -8.0799997E-02
 C   -1.914600      0.8536000     -0.4200000    
 C   -3.836300       1.548100      0.6991000    
 C   -2.703100       1.909900     -0.2022000    
 C  -0.6632000      0.8139000      -1.218400    
 C    2.737500     -0.1141000     -4.1000001E-02
 C    2.436800      -1.519000      0.5627000    
 C    3.021200      0.9927000       1.006600    
 C    1.645300      0.3281000      -1.022900    
 C    3.471600      -2.019900       1.574400    
 C    2.223800      -2.593100     -0.5171000    
 C    3.408500       2.340000      0.4013000    
 H   -1.752600     -0.6078000       1.130900    
 H   -2.022100      -2.367600     -0.3904000    
 H   -2.776600      -1.321300      -1.606800    
 H   -5.090500     -0.1741000     -0.7186000    
 H   -5.683100     -0.7702000      0.8510000    
 H   -4.671500      -2.553400     -0.8477000    
 H   -4.070400      -2.602500      0.8237000    
 H   -3.721300       2.067400       1.656900    
 H   -4.797000       1.850700      0.2680000    
 H   -2.537500       2.901900     -0.5962000    
 H  -0.4441000       1.805000      -1.634100    
 H  -0.7785000      0.1084000      -2.049400    
 H    1.483900      -1.451500       1.105500    
 H    3.833400      0.6978000       1.679400    
 H    3.218800      -3.027000       1.924100    
 H    3.510500      -1.376500       2.458100    
 H    4.472700      -2.059600       1.133100    
 H    1.465900      -2.294800      -1.247500    
 H    1.875300      -3.525600     -5.8499999E-02
 H    3.150600      -2.823800      -1.052000    
 H    4.310200       2.263800     -0.2130000    
 H    3.597100       3.067600       1.198600    
 H    2.598500       2.757200     -0.2062000    
 H    3.712800     -0.8445000      -1.601000    
 H    1.698800      0.4013000       2.327300    


%chk=000108053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108053

0 1
O 0.532324 0.999263 0.379489
O 3.046417 -1.433446 -0.701310
O 3.454809 1.817436 1.125244
O 0.819163 -0.224221 -1.585687
N -3.613051 -0.856752 0.326401
C -2.315985 -0.496760 -0.359878
C -2.623675 -0.548820 -1.885386
C -4.606868 -1.288411 -0.695223
C -3.753861 -1.606704 -1.950796
C -1.953944 0.861328 0.227395
C -4.009548 0.238112 1.254931
C -2.898320 1.264813 1.119708
C -0.734054 1.633033 -0.173962
C 2.539368 -0.359523 0.161826
C 2.338454 -0.924761 1.606279
C 3.629580 0.786260 0.097695
C 1.210198 0.130020 -0.438900
C 3.674337 -1.431442 2.201523
C 1.295550 -2.066840 1.607464
C 3.656919 1.528014 -1.240867
H -1.529572 -1.247077 -0.131486
H -1.734874 -0.812087 -2.481111
H -3.002118 0.432801 -2.232006
H -5.332032 -0.469579 -0.925012
H -5.189903 -2.164909 -0.355811
H -4.346133 -1.553887 -2.880448
H -3.326849 -2.623569 -1.871445
H -4.103554 -0.114547 2.304150
H -5.000443 0.669630 0.976992
H -2.881649 2.203588 1.683484
H -0.715638 2.640783 0.267404
H -0.618228 1.681134 -1.271905
H 1.936761 -0.097176 2.224181
H 4.589669 0.247173 0.237817
H 3.495985 -1.881888 3.194797
H 4.428262 -0.631964 2.332260
H 4.112365 -2.201649 1.543041
H 0.306541 -1.725120 1.250127
H 1.158748 -2.457417 2.631943
H 1.635160 -2.895709 0.961834
H 3.731808 0.815594 -2.079384
H 4.528565 2.202966 -1.271078
H 2.748465 2.143293 -1.366922
H 2.455165 -1.469050 -1.504613
H 3.548986 1.409070 2.022446


