%chk=000054494.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054494

0 1
 O   -2.561900      0.2550000      0.1078000    
 O    5.070500      0.1519000      0.1613000    
 O   -1.951100      -1.732300     -0.8450000    
 N   -6.137600       1.035900     -0.2682000    
 N  -0.4055000     -0.3536000      0.2461000    
 C   -6.983300       2.165800      0.1154000    
 C   -6.764300     -0.1336000      0.3475000    
 C   -8.390000       1.612800     -5.9099998E-02
 C   -8.246500      0.1019000      9.7099997E-02
 C   -4.754600       1.209900      0.1501000    
 C   -3.904000      3.5100002E-02 -0.3062000    
 C   -1.651400     -0.7190000     -0.2254000    
 C    6.904600       1.581700     -0.4084000    
 C    6.272400      0.7137000      0.6701000    
 C    8.213200       2.206700      6.6600002E-02
 C    3.169100      -1.222400      0.5515000    
 C   0.8125000      -1.060900      0.1256000    
 C    4.421300     -0.6582000       1.133500    
 C    1.967800     -0.5237000      0.6710000    
 C    3.199500      -2.449200     -0.1117000    
 C   0.8273000      -2.278500     -0.5361000    
 C    8.863200       3.038100      -1.027900    
 C    2.028700      -2.977200     -0.6555000    
 H   -6.826200       2.454400       1.162700    
 H   -6.813800       3.042600     -0.5174000    
 H   -6.450300      -1.077800     -0.1077000    
 H   -6.573700     -0.1799000       1.427500    
 H   -9.081300       2.033100      0.6783000    
 H   -8.779400       1.846800      -1.056900    
 H   -8.571700     -0.3979000     -0.8229000    
 H   -8.858200     -0.2799000      0.9208000    
 H   -4.665400       1.331500       1.238000    
 H   -4.343800       2.128000     -0.2894000    
 H   -3.936600     -5.6200001E-02  -1.398800    
 H   -4.245400     -0.9034000      0.1435000    
 H    6.196400       2.364100     -0.7088000    
 H    7.077900      0.9743000      -1.305700    
 H    6.049200       1.320000       1.555900    
 H    6.959500     -9.1200002E-02  0.9564000    
 H    8.026900       2.842100      0.9402000    
 H    8.909900       1.420500      0.3798000    
 H    4.188700     -5.9900001E-02   2.023600    
 H    5.089600      -1.468600       1.450900    
 H  -0.3557000      0.5333000      0.7415000    
 H    1.942700      0.4335000       1.185800    
 H    4.129600      -3.002200     -0.2132000    
 H  -3.5799999E-02  -2.750500     -0.9822000    
 H    9.797900       3.477400     -0.6657000    
 H    8.204700       3.853300      -1.344300    
 H    9.093900       2.422800      -1.903400    
 H    2.053800      -3.932300      -1.172200    


%chk=000054494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054494

0 1
O -1.992567 0.602817 -1.006420
O 4.761328 -0.013460 0.294696
O -2.167396 -1.625769 -0.241498
N -5.635203 1.263369 -0.253007
N -0.114037 -0.435975 -0.317899
C -6.376783 2.079632 0.742870
C -6.389509 -0.019017 -0.377171
C -7.846277 1.857255 0.331559
C -7.880752 0.362216 -0.120174
C -4.193460 1.120696 0.014057
C -3.458022 0.628244 -1.244430
C -1.476676 -0.604352 -0.484613
C 6.163209 1.909076 -0.190860
C 6.153590 0.453042 0.282661
C 7.592481 2.495682 -0.254936
C 3.189158 -1.836782 0.684812
C 0.833011 -1.381495 0.165393
C 4.643645 -1.400310 0.738229
C 2.188710 -0.961815 0.220031
C 2.833993 -3.144842 1.102895
C 0.472811 -2.688635 0.580503
C 7.607826 3.966409 -0.724373
C 1.485639 -3.555349 1.046295
H -6.208987 1.721584 1.791634
H -6.062407 3.137432 0.688738
H -6.235638 -0.466861 -1.375097
H -6.041008 -0.763501 0.381024
H -8.549630 2.070120 1.155258
H -8.094974 2.518419 -0.516563
H -8.499023 0.234292 -1.024709
H -8.310264 -0.281886 0.667201
H -3.984036 0.416931 0.858699
H -3.786456 2.110934 0.291117
H -3.599733 1.333866 -2.077352
H -3.787101 -0.384392 -1.535635
H 5.537953 2.512393 0.495440
H 5.688570 1.962932 -1.189820
H 6.588832 0.370057 1.304969
H 6.758833 -0.186410 -0.400313
H 8.067070 2.422666 0.745114
H 8.212701 1.882958 -0.940751
H 5.034390 -1.501883 1.776904
H 5.262250 -2.059895 0.086477
H 0.241430 0.482890 -0.591240
H 2.482802 0.044461 -0.097149
H 3.604329 -3.835128 1.468239
H -0.570372 -3.006915 0.534107
H 8.637218 4.367409 -0.760523
H 7.018690 4.606432 -0.041084
H 7.170736 4.064584 -1.735721
H 1.212406 -4.566327 1.368815


