%chk=000131467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131467

0 1
 O    6.435700     -0.1121000      0.5513000    
 O    5.183900      0.6650000      -2.615000    
 N    2.299100      0.3926000      0.8411000    
 N    6.596600      6.4999998E-02 -0.8449000    
 C    3.068000      0.7795000       2.042100    
 C    2.974000      0.8271000     -0.4047000    
 C    4.467000      0.1207000       2.066300    
 C    4.418300      0.5062000     -0.3704000    
 C   0.9377000      0.9212000      0.8980000    
 C    5.098200      0.1725000      0.7205000    
 C   0.1163000      0.3955000     -0.2785000    
 C    5.406300      0.4352000      -1.439100    
 C   -1.294500      0.9244000     -0.2317000    
 C   -2.445900      0.2207000     -0.1543000    
 C   -3.749000      0.9219000     -0.1184000    
 C   -2.345400      -1.261200     -9.7300000E-02
 C   -4.280100       1.290600       1.103300    
 C   -2.360700      -1.975200      -1.277300    
 C   -4.400600       1.190300      -1.307500    
 C   -2.239400      -1.874500       1.133500    
 C   -5.507800       1.951900       1.137300    
 C   -2.265800      -3.365900      -1.224100    
 C   -5.628200       1.851700      -1.273600    
 C   -2.144400      -3.265100       1.186800    
 C   -6.181800       2.232500     -5.1199999E-02
 C   -2.157700      -4.010700      8.0000004E-03
 H    2.534900      0.4699000       2.949400    
 H    3.175600       1.872000       2.087900    
 H    2.854000       1.905300     -0.5684000    
 H    2.552700      0.2950000      -1.263700    
 H    4.377300     -0.9273000       2.376100    
 H    5.094900      0.6340000       2.802700    
 H   0.9400000       2.019400      0.9069000    
 H   0.4577000      0.5934000       1.829500    
 H   0.1588000     -0.6979000     -0.3004000    
 H   0.5197000      0.7443000      -1.235600    
 H   -1.364000       2.011900     -0.2784000    
 H    7.505300     -8.6999997E-02  -1.263600    
 H   -3.764400       1.078800       2.035900    
 H   -2.443200      -1.483600      -2.242600    
 H   -3.979400      0.8999000      -2.266100    
 H   -2.226300      -1.304000       2.057900    
 H   -5.938800       2.248600       2.089000    
 H   -2.275600      -3.946500      -2.141800    
 H   -6.153000       2.070500      -2.198900    
 H   -2.059500      -3.767300       2.146000    
 H   -7.137600       2.747500     -2.4800001E-02
 H   -2.083400      -5.093400      4.9600001E-02


%chk=000131467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131467

0 1
O 6.526054 -0.194034 0.745211
O 5.589065 0.518365 -2.652755
N 2.447918 0.643270 0.780567
N 6.810833 0.029823 -0.671125
C 3.196191 1.061384 1.995643
C 3.180002 0.942230 -0.481477
C 4.485110 0.213107 2.182387
C 4.618574 0.535966 -0.344212
C 1.053664 1.145356 0.767890
C 5.168561 0.184805 0.856110
C 0.159533 0.421144 -0.272172
C 5.633160 0.380294 -1.396414
C -1.267808 0.914801 -0.184695
C -2.422249 0.173437 -0.128545
C -3.739287 0.861688 0.076842
C -2.434887 -1.318329 -0.275116
C -3.848296 2.020112 0.897338
C -1.722706 -1.966758 -1.320949
C -4.918487 0.380796 -0.558794
C -3.180287 -2.124591 0.630341
C -5.081587 2.687446 1.054970
C -1.741049 -3.373059 -1.449774
C -6.152790 1.047139 -0.401665
C -3.192108 -3.530453 0.509236
C -6.241374 2.206460 0.403413
C -2.471024 -4.162371 -0.531667
H 2.537843 0.915660 2.869725
H 3.478734 2.144225 1.964049
H 3.116393 2.028851 -0.749433
H 2.718825 0.384170 -1.315819
H 4.221568 -0.811290 2.504630
H 5.133146 0.659049 2.960227
H 1.011951 2.250894 0.580380
H 0.623816 0.970307 1.772066
H 0.226280 -0.667229 -0.101964
H 0.553858 0.615225 -1.291595
H -1.372151 2.010365 -0.143411
H 7.618229 -0.503995 -0.999685
H -2.964593 2.381580 1.435653
H -1.178405 -1.360735 -2.053746
H -4.860091 -0.512713 -1.189912
H -3.746675 -1.641248 1.434412
H -5.141911 3.573966 1.696729
H -1.191769 -3.850463 -2.269070
H -7.044730 0.663633 -0.910035
H -3.764281 -4.132865 1.223909
H -7.200315 2.721522 0.528976
H -2.484947 -5.253635 -0.629873


