%chk=000094897.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094897

0 1
 O  -0.7047000       2.253600      -1.205100    
 N  -4.4399999E-02  0.3168000     -0.1251000    
 C   0.7437000       2.560400      0.6793000    
 C  -0.8193000     -0.5264000      -1.029100    
 C   0.7174000     -0.4126000      0.8866000    
 C  -5.9000000E-02   1.703800     -0.3059000    
 C   -2.216400     -0.7520000     -0.5277000    
 C    2.082600     -0.7967000      0.3936000    
 C  -0.1364000       2.957400       1.863700    
 C    1.282800       3.819100     -6.6999998E-03
 C   -2.483400      -1.837200      0.2988000    
 C    2.689600      -1.949400      0.8783000    
 C   -3.229100      0.1268000     -0.8946000    
 C    2.725800      3.8999999E-03 -0.5431000    
 C   -3.781200      -2.046800      0.7648000    
 C    3.957800      -2.306400      0.4202000    
 C   -4.526900     -8.2900003E-02 -0.4283000    
 C    3.994000     -0.3533000      -1.001400    
 C   -4.802900      -1.169700      0.4013000    
 C    4.609900      -1.508400     -0.5196000    
 H    1.612200       2.017300       1.055900    
 H  -0.3006000      -1.480900      -1.184300    
 H  -0.8606000     -5.3900000E-02  -2.018900    
 H   0.1544000      -1.301700       1.186700    
 H   0.8292000      0.1965000       1.787900    
 H  -0.5283000       2.074200       2.378800    
 H   0.4289000       3.550100       2.590200    
 H  -0.9979000       3.549900       1.535500    
 H    1.892000       3.554200     -0.8776000    
 H    1.908100       4.398400      0.6807000    
 H   0.4720000       4.468800     -0.3545000    
 H   -1.702100      -2.536800      0.5808000    
 H    2.191100      -2.577400       1.611600    
 H   -3.032700      0.9730000      -1.546000    
 H    2.295600      0.9063000     -0.9575000    
 H   -3.997000      -2.894700       1.408400    
 H    4.437500      -3.205600      0.7954000    
 H   -5.323000      0.5989000     -0.7128000    
 H    4.501900      0.2667000      -1.734400    
 H   -5.813600      -1.333600      0.7633000    
 H    5.597100      -1.786600     -0.8767000    


%chk=000094897-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094897

0 1
O -0.775829 2.647147 -1.295458
N -0.018670 0.719085 -0.245059
C 0.749334 2.981498 0.592281
C -0.780014 -0.119993 -1.211867
C 0.648897 -0.014191 0.845830
C -0.062429 2.107086 -0.387887
C -2.038894 -0.727288 -0.602757
C 1.903755 -0.779483 0.414914
C -0.167374 3.384502 1.782104
C 1.277931 4.232458 -0.145195
C -2.173074 -2.129533 -0.451974
C 2.239853 -1.995204 1.060516
C -3.099347 0.115466 -0.176559
C 2.764126 -0.277077 -0.592473
C -3.345921 -2.685809 0.111209
C 3.420968 -2.691147 0.717660
C -4.269581 -0.437254 0.386675
C 3.943526 -0.973300 -0.940809
C -4.396840 -1.840295 0.532724
C 4.278051 -2.180775 -0.284704
H 1.617881 2.419078 0.983652
H -0.107629 -0.917301 -1.579872
H -1.039389 0.545839 -2.053033
H -0.079629 -0.727933 1.278961
H 0.903677 0.689464 1.655928
H -0.547997 2.504576 2.333832
H 0.386592 4.023806 2.493101
H -1.037416 3.953544 1.408626
H 1.989090 3.958394 -0.945393
H 1.795839 4.903390 0.564446
H 0.441232 4.776768 -0.614002
H -1.359288 -2.788359 -0.781687
H 1.573639 -2.399976 1.833322
H -3.000423 1.200312 -0.301416
H 2.500338 0.651850 -1.111882
H -3.438891 -3.772510 0.219296
H 3.668434 -3.630575 1.224789
H -5.085313 0.221408 0.706024
H 4.599697 -0.575805 -1.723436
H -5.307118 -2.268313 0.967722
H 5.192309 -2.720450 -0.555650


