%chk=000033878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033878

0 1
 O   -1.622400     -0.4634000      0.2780000    
 O    1.019100      -1.529000      0.3384000    
 O   -3.538100      0.3870000     -0.6369000    
 O    2.733100      -1.852700      -1.140500    
 N   -1.538200      -4.148100      0.2024000    
 N   -1.875200       1.766600      0.2642000    
 N    2.800800     -0.1739000      0.4895000    
 C   -1.033700      -2.797100      0.4555000    
 C   -2.766700      -4.383300      0.9588000    
 C   -1.770900      -4.345200      -1.227300    
 C   -2.074200      -1.780200     -1.3600000E-02
 C   0.3079000      -2.607200     -0.2591000    
 C   -2.541500      -4.182400       2.447900    
 C   -2.238600      -5.761400      -1.517300    
 C   -2.457500      0.5644000     -8.8000000E-02
 C    2.249100      -1.236800     -0.1988000    
 C   -2.387000       3.070300      7.4000001E-02
 C    4.049900      0.4506000      0.2707000    
 C   -1.651400       4.177100      0.4981000    
 C    4.444300       1.521300       1.073000    
 C   -3.627300       3.250500     -0.5384000    
 C    4.888600     -4.3000001E-03 -0.7469000    
 C   -2.156000       5.463700      0.3101000    
 C    5.677100       2.137500      0.8575000    
 C   -4.131900       4.537300     -0.7265000    
 C    6.121400      0.6118000     -0.9623000    
 C   -3.396100       5.643900     -0.3022000    
 C    6.515500       1.682700     -0.1600000    
 H  -0.8211000      -2.630800       1.517800    
 H   -3.640100      -3.821700      0.6107000    
 H   -3.043400      -5.440300      0.8663000    
 H   -2.530000      -3.683100      -1.654500    
 H  -0.8490000      -4.213300      -1.802400    
 H   -3.033700      -1.895800      0.4966000    
 H   -2.235400      -1.812200      -1.094900    
 H   0.9232000      -3.510100     -0.1536000    
 H   0.1732000      -2.385900      -1.324600    
 H   -1.626500      -4.675800       2.793600    
 H   -2.506300      -3.125600       2.729500    
 H   -3.375400      -4.623700       3.006000    
 H   -1.599700      -6.506500      -1.031000    
 H   -3.276700      -5.931600      -1.215200    
 H   -2.193300      -5.949400      -2.596200    
 H  -0.9658000       1.710300      0.7162000    
 H    2.241800      0.2095000       1.247900    
 H  -0.6835000       4.050600      0.9764000    
 H    3.800300       1.885600       1.869500    
 H   -4.252600       2.442800     -0.8925000    
 H    4.651100     -0.8269000      -1.407100    
 H   -1.583200       6.325400      0.6403000    
 H    5.984100       2.971200       1.482100    
 H   -5.097500       4.679100      -1.203300    
 H    6.775400      0.2587000      -1.754300    
 H   -3.789000       6.645700     -0.4487000    
 H    7.475400       2.162400     -0.3277000    


%chk=000033878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033878

0 1
O -1.522499 -0.532323 0.439672
O 1.135404 -2.115196 0.073289
O -3.518586 0.691150 0.163099
O 1.063602 0.014254 -0.962714
N -1.758402 -4.280316 0.184083
N -1.369872 1.544919 -0.415818
N 2.656607 -0.583734 0.679997
C -1.182504 -2.928128 0.411371
C -2.479482 -4.864844 1.347533
C -2.505455 -4.437473 -1.097246
C -2.258180 -1.809432 0.473826
C -0.075416 -2.613485 -0.634162
C -1.599218 -5.046625 2.598031
C -2.404979 -5.865336 -1.671073
C -2.268029 0.615156 0.061821
C 1.570051 -0.802923 -0.145832
C -1.637546 2.888013 -0.790760
C 3.473037 0.578551 0.777870
C -0.543053 3.657984 -1.270875
C 4.464465 0.589460 1.795533
C -2.928065 3.476190 -0.704311
C 3.343737 1.692828 -0.091964
C -0.735483 4.998527 -1.659622
C 5.314791 1.703188 1.945174
C -3.101978 4.821484 -1.094988
C 4.201959 2.801302 0.073154
C -2.017223 5.591677 -1.573830
C 5.188125 2.819270 1.085566
H -0.657848 -2.956086 1.382632
H -3.394247 -4.278248 1.615933
H -2.836323 -5.861338 1.029918
H -3.582557 -4.159358 -0.988574
H -2.076548 -3.734282 -1.835880
H -2.859448 -1.869202 1.398518
H -2.945535 -1.852797 -0.392026
H 0.245263 -3.552982 -1.112768
H -0.372562 -1.860488 -1.383950
H -0.672973 -5.588415 2.337266
H -1.320684 -4.085593 3.066517
H -2.146472 -5.632583 3.358809
H -1.347547 -6.142566 -1.824493
H -2.858103 -6.614297 -0.997243
H -2.933676 -5.927420 -2.640461
H -0.416845 1.174403 -0.571472
H 2.888303 -1.369343 1.292367
H 0.451969 3.201214 -1.335558
H 4.565553 -0.270533 2.469843
H -3.769764 2.879653 -0.345681
H 2.588592 1.677590 -0.879873
H 0.116686 5.580374 -2.028694
H 6.073899 1.698982 2.734941
H -4.100109 5.269111 -1.026016
H 4.097468 3.658687 -0.601179
H -2.166704 6.633805 -1.875701
H 5.846802 3.685871 1.203201


