%chk=000045132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045132

0 1
 O   0.7524000     -3.6200002E-02 -0.9280000    
 O  -7.8800000E-02   1.710000      0.3206000    
 N    4.745900     -0.1316000      0.3498000    
 C    3.851100      0.7926000       1.080200    
 C    4.517700     -0.1394000      -1.112600    
 C    2.076600      0.4361000     -0.7081000    
 C    2.377300      0.4561000      0.7858000    
 C    3.053500     -0.4911000      -1.419400    
 C    4.053200      0.7398000       2.602600    
 C    4.941100       1.144300      -1.844600    
 C    6.160300      5.5300001E-02  0.6743000    
 C  -0.2509000      0.7008000     -0.3513000    
 C   -1.609600      0.1133000     -0.7204000    
 C   -1.784200      -1.341900     -0.3068000    
 C   -2.776300      0.9799000     -0.2634000    
 C   -2.604300      -2.154900      -1.061500    
 C   -3.314600      0.7650000      0.9882000    
 C   -1.116700      -1.802000      0.8093000    
 C   -3.257100       1.952100      -1.115400    
 C   -2.764100      -3.487800     -0.6829000    
 C   -4.382700       1.558400       1.406800    
 C   -1.276500      -3.135100       1.187700    
 C   -4.325100       2.745500     -0.6966000    
 C   -2.100200      -3.977900      0.4414000    
 C   -4.888000       2.548700      0.5645000    
 H    4.043400       1.825600      0.7629000    
 H    5.117100     -0.9566000      -1.536900    
 H    2.159800       1.445800      -1.129000    
 H    1.769300       1.178800       1.333300    
 H    2.122000     -0.5224000       1.217700    
 H    2.854300      -1.528400      -1.114600    
 H    2.865600     -0.4698000      -2.500400    
 H    5.032800       1.132200       2.893900    
 H    3.965000     -0.2845000       2.981800    
 H    3.303600       1.352200       3.116300    
 H    6.017700       1.319400      -1.752300    
 H    4.422700       2.032400      -1.472100    
 H    4.722700       1.060700      -2.915200    
 H    6.794400     -0.5843000      4.9300000E-02
 H    6.368400     -0.2465000       1.705900    
 H    6.484600       1.093400      0.5452000    
 H   -1.613000      0.1260000      -1.822300    
 H   -3.125500      -1.781400      -1.937800    
 H   -2.934600      2.2700001E-02   1.680400    
 H  -0.4844000      -1.164400       1.418700    
 H   -2.823900       2.114800      -2.097600    
 H   -3.406000      -4.144000      -1.263500    
 H   -4.817500       1.409300       2.390800    
 H  -0.7631000      -3.515900       2.065700    
 H   -4.717900       3.517400      -1.352000    
 H   -2.225500      -5.015500      0.7368000    
 H   -5.718600       3.167500      0.8910000    


%chk=000045132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045132

0 1
O 0.780129 0.005886 -0.705683
O -0.120685 0.692123 1.333070
N 5.018729 0.228537 -0.446244
C 4.326826 -0.081174 0.839961
C 4.342151 1.276874 -1.272452
C 2.129221 0.539621 -0.294666
C 2.862826 -0.507723 0.551853
C 2.892043 0.826715 -1.588200
C 5.038377 -1.213730 1.609166
C 4.389583 2.718464 -0.679484
C 6.472734 0.459657 -0.320416
C -0.256481 0.144443 0.212582
C -1.553887 -0.438845 -0.362052
C -2.102494 -1.598616 0.487916
C -2.581890 0.691623 -0.566418
C -2.748731 -2.670345 -0.180147
C -3.204670 1.334156 0.532763
C -2.022851 -1.625072 1.903615
C -2.906920 1.107407 -1.881229
C -3.309201 -3.743806 0.545877
C -4.138107 2.371038 0.316821
C -2.580208 -2.701937 2.629969
C -3.844342 2.143128 -2.098532
C -3.226944 -3.763415 1.957505
C -4.463684 2.778322 -0.998539
H 4.303451 0.819377 1.509245
H 4.889840 1.301562 -2.236169
H 1.946008 1.455564 0.297101
H 2.332637 -0.661842 1.508751
H 2.878550 -1.466053 -0.001776
H 2.928350 -0.098674 -2.191508
H 2.373681 1.605101 -2.177449
H 6.023322 -0.904824 1.999774
H 5.178623 -2.090620 0.950708
H 4.420796 -1.521804 2.472010
H 5.431906 3.046769 -0.516808
H 3.856119 2.796081 0.284376
H 3.919615 3.431377 -1.381788
H 6.879489 0.726286 -1.312884
H 6.981558 -0.461571 0.008819
H 6.748484 1.275549 0.392634
H -1.295153 -0.838119 -1.357450
H -2.817634 -2.660700 -1.275102
H -2.957044 1.025631 1.553263
H -1.512618 -0.812624 2.431525
H -2.424028 0.620562 -2.737676
H -3.804809 -4.562801 0.012321
H -4.613187 2.861032 1.174277
H -2.507540 -2.710839 3.723585
H -4.089017 2.451903 -3.121187
H -3.658409 -4.596302 2.524025
H -5.191114 3.581147 -1.163453


