%chk=000087744.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087744

1 1
 O   -2.206700     -8.1799999E-02   1.002600    
 O   -2.766600     -9.3199998E-02  -1.254000    
 N    1.916300       2.206900     -0.1191000    
 N   -4.413100     -7.6000001E-03  0.3782000    
 C    1.127900      0.9134000      9.9799998E-02
 C    2.434200       2.229000      -1.554400    
 C    3.072500       2.251700      0.8762000    
 C    1.056300       3.450700      9.5700003E-02
 C    1.079800      -1.429300      0.1252000    
 C    1.798500     -0.2508000     -7.4400000E-02
 C    1.750000      -2.750000     -4.8599999E-02
 C  -0.1745000       1.041400      0.4498000    
 C  -0.2662000      -1.372500      0.4872000    
 C  -0.8933000     -0.1371000      0.6495000    
 C    2.907900      -2.958300      0.9459000    
 C    2.251900      -2.971200      -1.488200    
 C   -3.111600     -6.4000003E-02 -7.6300003E-02
 C   -5.563300      2.2600001E-02 -0.4949000    
 H    1.584800       2.114100      -2.235500    
 H    2.923300       3.193700      -1.723900    
 H    3.166100       1.430100      -1.701100    
 H    3.782200       1.448200      0.6611000    
 H    3.580500       3.214900      0.7632000    
 H    2.667300       2.157100       1.888800    
 H   0.7090000       3.484000       1.133600    
 H    1.689300       4.327700     -8.2300000E-02
 H   0.2392000       3.463800     -0.6332000    
 H    2.843800     -0.2982000     -0.3544000    
 H    1.020900      -3.547000      0.1521000    
 H  -0.7156000       1.966400      0.5920000    
 H  -0.8354000      -2.285200      0.6457000    
 H    3.313900      -3.971600      0.8553000    
 H    2.563400      -2.825000       1.977400    
 H    3.728700      -2.253900      0.7728000    
 H    2.651300      -3.984600      -1.603700    
 H    3.046400      -2.267000      -1.758000    
 H    1.435200      -2.847300      -2.208100    
 H   -4.571000      1.3700000E-02   1.381000    
 H   -6.119300      0.9417000     -0.2946000    
 H   -6.192700     -0.8390000     -0.2595000    
 H   -5.267300     -1.0300000E-02  -1.546000    


%chk=000087744-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087744

1 1
O -2.341839 -0.676477 0.105146
O -3.016990 1.623001 -0.003363
N 1.805431 2.152171 -0.285726
N -4.540782 -0.160730 0.179767
C 1.078830 0.803369 -0.166782
C 2.618675 2.182968 -1.586755
C 2.740547 2.336153 0.917083
C 0.844060 3.342518 -0.311806
C 1.216194 -1.631385 -0.019653
C 1.858658 -0.368881 -0.134614
C 2.034922 -2.923559 0.017716
C -0.325122 0.784909 -0.091916
C -0.192922 -1.670807 0.057521
C -0.952954 -0.480750 0.020948
C 2.984000 -2.963697 1.245629
C 2.823416 -3.135681 -1.302772
C -3.307543 0.405191 0.085407
C -5.775568 0.638000 0.191291
H 1.928655 2.043749 -2.431730
H 3.131336 3.154675 -1.663363
H 3.355628 1.369013 -1.576991
H 3.478150 1.522953 0.934246
H 3.251693 3.307305 0.825448
H 2.136455 2.303781 1.835530
H 0.259671 3.365933 0.618737
H 1.446359 4.259877 -0.396804
H 0.173062 3.257211 -1.178070
H 2.951657 -0.340681 -0.195272
H 1.320862 -3.763543 0.119254
H -0.957807 1.670876 -0.114366
H -0.719511 -2.625896 0.146734
H 3.513760 -3.931861 1.282724
H 2.429300 -2.840536 2.192646
H 3.752317 -2.169242 1.190394
H 3.355942 -4.102626 -1.274489
H 3.582711 -2.344653 -1.452859
H 2.153218 -3.139271 -2.180570
H -4.590391 -1.179040 0.244236
H -6.332805 0.481542 1.131312
H -6.422375 0.368675 -0.661778
H -5.504901 1.701647 0.110809


