%chk=000084497.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084497

0 1
 O   0.8384000      5.7999999E-03   1.722700    
 O   -3.582800       2.824400      8.3499998E-02
 N    2.231800     -0.9355000     -0.9582000    
 N   -2.971800      -2.669100     -2.0500001E-02
 C    3.489300       1.334400     -0.7709000    
 C    4.158500      0.2658000      0.1234000    
 C    2.009800       1.484700     -0.3641000    
 C    1.284300      0.1508000     -0.6066000    
 C    3.515900      0.7987000      -2.215700    
 C    3.313600      -1.028000      5.5700000E-02
 C    2.851900     -0.5886000      -2.259500    
 C   0.4846000     -0.2864000      0.5827000    
 C    4.358900      0.7300000       1.534400    
 C  -0.7549000      -1.085600      0.3684000    
 C    5.554500      0.8405000       2.123400    
 C   -1.990000     -0.4799000      0.2053000    
 C  -0.5952000      -2.449700      0.3432000    
 C   -3.099200      -1.329000      8.5000005E-03
 C   -2.159400      0.9148000      0.2293000    
 C   -1.737800      -3.198000      0.1454000    
 C   -4.351000     -0.7430000     -0.1585000    
 C   -3.422700       1.473900      5.9700001E-02
 C   -4.519600      0.6436000     -0.1344000    
 C   -4.906900       3.325400     -9.7300000E-02
 H    4.008400       2.297300     -0.7090000    
 H    5.143400      4.2900000E-02 -0.3128000    
 H    1.549500       2.255700     -0.9964000    
 H    1.924800       1.854200      0.6623000    
 H   0.5716000      0.2899000      -1.431600    
 H    4.548800      0.7292000      -2.576700    
 H    2.985400       1.490400      -2.881100    
 H    3.969400      -1.868300     -0.2109000    
 H    2.902500      -1.309000       1.032300    
 H    2.094000     -0.6150000      -3.052300    
 H    3.590000      -1.352400      -2.535000    
 H    3.481300      0.9788000       2.124700    
 H    5.630900       1.175800       3.152000    
 H    6.472000      0.6018000       1.597200    
 H   0.3664000      -2.931800      0.4739000    
 H   -1.315600       1.584200      0.3805000    
 H   -1.694400      -4.281800      0.1143000    
 H   -5.225600      -1.372700     -0.3123000    
 H   -5.533300       1.003700     -0.2736000    
 H   -5.572000       3.004800      0.7116000    
 H   -5.302400       3.068600      -1.085900    
 H   -4.848500       4.417800     -4.9800001E-02


%chk=000084497-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084497

0 1
O 0.404201 1.326979 0.413456
O -4.027362 2.818451 1.082060
N 2.381851 -1.196849 -0.669094
N -3.037262 -2.368409 -0.835979
C 4.056778 0.751850 -1.064727
C 4.177619 0.260191 0.418408
C 2.609615 1.226218 -1.362324
C 1.645910 0.002239 -1.225031
C 4.401903 -0.438323 -2.001679
C 3.055093 -0.837224 0.618137
C 3.417850 -1.616520 -1.669938
C 0.394156 0.318851 -0.355880
C 4.056529 1.372998 1.435247
C -0.812112 -0.562244 -0.490958
C 5.033533 1.746084 2.299810
C -2.157879 -0.118909 -0.152554
C -0.647232 -1.875902 -0.968385
C -3.236485 -1.078186 -0.367551
C -2.489587 1.174752 0.342192
C -1.771246 -2.739612 -1.113797
C -4.584535 -0.693388 -0.085459
C -3.825575 1.518073 0.604097
C -4.889170 0.580227 0.390613
C -5.396255 3.236897 1.399914
H 4.763105 1.584654 -1.230758
H 5.176726 -0.207932 0.530886
H 2.555386 1.644424 -2.384559
H 2.304277 2.021952 -0.661750
H 1.278509 -0.311536 -2.220983
H 5.453166 -0.749128 -1.852801
H 4.298756 -0.121901 -3.057133
H 3.486024 -1.761236 1.042443
H 2.286672 -0.480007 1.324734
H 2.896355 -1.973820 -2.576970
H 3.956453 -2.478307 -1.236083
H 3.083428 1.888334 1.470263
H 4.882369 2.554451 3.024152
H 6.013911 1.251606 2.309994
H 0.362869 -2.245965 -1.169822
H -1.705716 1.905460 0.545728
H -1.633835 -3.767675 -1.468048
H -5.363104 -1.441422 -0.262399
H -5.928892 0.851177 0.595628
H -5.838394 2.603709 2.192996
H -6.043264 3.218955 0.501721
H -5.298346 4.270061 1.763480


