%chk=000080951.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080951

0 1
 O  -0.7161000      -2.574800     -2.0300001E-02
 O   0.7161000       2.574400     -1.9600000E-02
 O   -6.189600       2.054900     -1.9900000E-02
 O    6.189800      -2.054800     -2.0099999E-02
 N   -5.096800     -2.6799999E-02 -2.0199999E-02
 N    5.096800      2.6799999E-02 -1.9099999E-02
 C   -1.413700     -0.3314000     -1.9099999E-02
 C    1.413700      0.3311000     -1.8500000E-02
 C   -1.039100       1.013900     -1.8900000E-02
 C    1.039200      -1.014200     -1.8700000E-02
 C  -0.3882000      -1.394700     -1.8900000E-02
 C   0.3882000       1.394300     -1.8600000E-02
 C   -2.770000     -0.6786000     -1.9800000E-02
 C    2.770000      0.6783000     -1.8400000E-02
 C   -2.020900       2.012100     -1.9400001E-02
 C    2.021000      -2.012300     -1.8800000E-02
 C   -3.745100      0.3193000     -2.0099999E-02
 C    3.745100     -0.3194000     -1.8500000E-02
 C   -3.371400       1.661700     -2.0000000E-02
 C    3.371400      -1.661900     -1.8700000E-02
 C   -6.206300      0.8288000     -2.0000000E-02
 C    6.206400     -0.8286000     -1.9800000E-02
 C   -7.530800      0.1545000      8.8000000E-03
 C    7.530700     -0.1543000      8.7000001E-03
 C   -8.619300      0.8026000     -0.5361000    
 C    8.619000     -0.8020000     -0.5369000    
 C   -7.627500      -1.096900      0.5798000    
 C    7.627800       1.097000      0.5801000    
 C   -9.862200      0.1699000     -0.5086000    
 C    9.861900     -0.1692000     -0.5099000    
 C   -8.870300      -1.729700      0.6071000    
 C    8.870400       1.729800      0.6072000    
 C   -9.987600      -1.096200      6.2899999E-02
 C    9.987500       1.096700      6.2199999E-02
 H   -3.072600      -1.723300     -1.9500000E-02
 H    3.072600       1.723000     -1.7999999E-02
 H   -1.753900       3.065600     -1.9500000E-02
 H    1.754000      -3.065900     -1.8900000E-02
 H   -4.066200       2.489600     -2.0300001E-02
 H    4.066300      -2.489700     -1.8900000E-02
 H   -5.262100      -1.028200     -6.6100001E-02
 H    5.262000       1.028200     -6.4700000E-02
 H   -8.537900       1.785600     -0.9902000    
 H    8.537500      -1.784800     -0.9915000    
 H   -6.795400      -1.608500       1.051500    
 H    6.795800       1.608400       1.052400    
 H   -10.73210      0.6625000     -0.9331000    
 H    10.73160     -0.6615000     -0.9350000    
 H   -8.970700      -2.711600       1.060600    
 H    8.971000       2.711500       1.061100    
 H   -10.95570      -1.588100      8.6099997E-02
 H    10.95550       1.588600      8.5000001E-02


%chk=000080951-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080951

0 1
O -0.834485 -2.636381 -0.029893
O 0.834488 2.636466 -0.029803
O -6.233261 2.110645 -0.168063
O 6.233241 -2.110589 -0.168413
N -5.134984 0.038968 -0.040967
N 5.134987 -0.038886 -0.041467
C -1.428242 -0.294413 -0.037664
C 1.428245 0.294499 -0.037799
C -1.001289 1.067782 -0.036430
C 1.001291 -1.067697 -0.036539
C -0.441368 -1.424163 -0.034286
C 0.441371 1.424249 -0.034378
C -2.802182 -0.598482 -0.040341
C 2.802184 0.598567 -0.040592
C -1.981771 2.091638 -0.039264
C 1.981773 -2.091553 -0.039499
C -3.776077 0.433221 -0.042967
C 3.776079 -0.433136 -0.043334
C -3.354682 1.796923 -0.044324
C 3.354683 -1.796838 -0.044685
C -6.281914 0.847532 -0.066568
C 6.281912 -0.847455 -0.067191
C -7.590629 0.106317 0.011387
C 7.590622 -0.106264 0.011039
C -8.742137 0.778318 -0.474434
C 8.742215 -0.778253 -0.474596
C -7.729013 -1.193497 0.568647
C 7.728909 1.193525 0.568380
C -10.004695 0.153784 -0.430272
C 10.004766 -0.153724 -0.430180
C -8.995410 -1.815772 0.616755
C 8.995299 1.815794 0.616743
C -10.134404 -1.147603 0.110821
C 10.134383 1.147641 0.110990
H -3.087592 -1.658080 -0.039941
H 3.087596 1.658165 -0.040209
H -1.638491 3.130970 -0.039761
H 1.638492 -3.130885 -0.039972
H -4.106538 2.587055 -0.055711
H 4.106537 -2.586970 -0.056165
H -5.293820 -0.970969 -0.062411
H 5.293827 0.971051 -0.062886
H -8.620147 1.789734 -0.875143
H 8.620293 -1.789653 -0.875369
H -6.871678 -1.715558 1.012225
H 6.871490 1.715568 1.011820
H -10.886205 0.678302 -0.813979
H 10.886344 -0.678229 -0.813749
H -9.095131 -2.813294 1.057758
H 9.094944 2.813298 1.057804
H -11.115764 -1.632973 0.147704
H 11.115738 1.633005 0.148071


