%chk=000137371.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137371

0 1
 O   -5.041200      -2.235800     -0.7400000    
 O   -5.304100       2.191300      0.6013000    
 N   -4.654700     -8.2999999E-03 -1.4300000E-02
 N    7.052000      2.9100001E-02  7.6099999E-02
 N   0.9326000      0.1432000      0.5798000    
 N    1.486400     -0.1267000     -0.5117000    
 C   -3.230900      3.0200001E-02  0.1380000    
 C    5.649900     -1.0400000E-02 -7.1800001E-02
 C   -2.536700      -1.123500      0.5026000    
 C   -2.538400       1.221500     -7.9200000E-02
 C   -5.383300      -1.112500     -0.4083000    
 C   -5.507900       1.053400      0.2107000    
 C  -0.4578000      0.1053000      0.4330000    
 C    4.958700      -1.202300      0.1459000    
 C    4.954400       1.142600     -0.4358000    
 C   -1.150200      -1.085800      0.6503000    
 C   -1.151800       1.259000      6.8400003E-02
 C    2.883500     -8.8200003E-02 -0.3638000    
 C   -6.796100     -0.7066000     -0.4241000    
 C   -6.868500      0.5727000     -7.0200004E-02
 C    3.572100      -1.241200     -6.0000003E-04
 C    3.567700       1.103600     -0.5822000    
 C    7.715900     -0.8514000       1.016700    
 C    7.848500      0.9409000     -0.7208000    
 H   -3.045900      -2.060400      0.7063000    
 H   -3.042700       2.131000     -0.3909000    
 H    5.471100      -2.120600      0.4185000    
 H    5.460900       2.089200     -0.6010000    
 H  -0.6185000      -1.988200      0.9411000    
 H  -0.6202000       2.190500     -0.1084000    
 H   -7.613800      -1.354400     -0.6921000    
 H   -7.757700       1.174400      1.5200000E-02
 H    3.041400      -2.174600      0.1675000    
 H    3.032900       2.006700     -0.8643000    
 H    7.164700     -0.9187000       1.961500    
 H    8.717900     -0.4826000       1.262900    
 H    7.829000      -1.855600      0.5949000    
 H    7.504600      0.9701000      -1.760900    
 H    8.899200      0.6304000     -0.7452000    
 H    7.814300       1.952600     -0.3031000    


%chk=000137371-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137371

0 1
O -5.411223 -2.337503 -0.439135
O -5.127905 2.309775 0.362802
N -4.822248 -0.044038 -0.021127
N 7.232225 0.049533 0.052539
N 0.849150 -0.539858 0.258289
N 1.575648 0.467585 -0.179175
C -3.387826 -0.142357 0.039068
C 5.841751 0.128914 0.006623
C -2.778775 -1.306407 0.572299
C -2.582641 0.927669 -0.438505
C -5.723975 -1.138213 -0.251246
C -5.583414 1.163579 0.139214
C -0.561573 -0.330797 0.151857
C 5.021585 -0.955002 0.479272
C 5.180528 1.291581 -0.512918
C -1.375999 -1.395356 0.619687
C -1.183845 0.836237 -0.377452
C 2.976629 0.281766 -0.085285
C -7.112852 -0.558795 -0.230030
C -7.031255 0.778134 -0.004648
C 3.627201 -0.878845 0.433266
C 3.781839 1.357097 -0.553452
C 7.890939 -1.149009 0.592753
C 8.050448 1.168991 -0.436179
H -3.393259 -2.135109 0.929939
H -3.054678 1.826820 -0.841071
H 5.487837 -1.858139 0.882998
H 5.761889 2.139958 -0.883010
H -0.883159 -2.285453 1.023433
H -0.548901 1.650655 -0.737791
H -7.990939 -1.185928 -0.383595
H -7.825920 1.519556 0.077508
H 3.006279 -1.705329 0.793031
H 3.274388 2.243556 -0.949007
H 7.618120 -1.324773 1.652501
H 8.983134 -1.020355 0.541234
H 7.627600 -2.057188 0.014835
H 7.862033 1.375013 -1.508842
H 9.116996 0.921993 -0.320324
H 7.851469 2.099938 0.131644


