%chk=000042067.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042067

0 1
 O   -3.068500      0.1531000     -0.4793000    
 O   -3.102700       2.432900     -0.5517000    
 O   0.6755000       2.672300      0.7729000    
 O   -1.177000       3.657800      0.1034000    
 N   0.9309000      0.2965000      0.9128000    
 N  -0.4908000       2.663400      0.3639000    
 C    2.026000     -0.3024000      0.1806000    
 C    2.474700      0.6404000     -0.9387000    
 C    3.174100     -0.6103000       1.144000    
 C    3.694500      9.2799999E-02  -1.675800    
 C    4.394300      -1.155100      0.4053000    
 C    4.838600     -0.2185000     -0.7148000    
 C  -0.3624000      0.3003000      0.4576000    
 C   -1.034100      -1.008500      0.2478000    
 C   -1.102200       1.386200      0.1757000    
 C   -2.356800      -1.033100     -0.2092000    
 C  -0.4238000      -2.253100      0.4784000    
 C   -2.489800       1.399500     -0.3106000    
 C   -3.057900      -2.222700     -0.4302000    
 C   -1.113500      -3.453300      0.2606000    
 C   -2.429100      -3.438200     -0.1927000    
 H    1.744200      -1.235900     -0.3131000    
 H    2.728800       1.625400     -0.5271000    
 H    1.661300      0.8004000      -1.656800    
 H    2.848000      -1.337700       1.897300    
 H    3.460300      0.2971000       1.692200    
 H    4.029900      0.8196000      -2.424300    
 H    3.414800     -0.8186000      -2.218600    
 H    4.156300      -2.139900     -1.5200000E-02
 H    5.218500      -1.300900       1.112500    
 H    5.670300     -0.6715000      -1.266100    
 H    5.214200      0.7162000     -0.2806000    
 H    1.194900       1.101700       1.473000    
 H   0.5679000      -2.345000      0.9084000    
 H   -4.084400      -2.203300     -0.7842000    
 H  -0.6230000      -4.401100      0.4651000    
 H   -2.961100      -4.370300     -0.3558000    


%chk=000042067-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042067

0 1
O -3.242368 0.046307 -0.190737
O -3.718352 2.184592 0.467722
O 0.398847 3.095874 0.820429
O -1.644087 3.883014 0.216114
N 0.904731 0.628673 0.384256
N -0.872710 2.892700 0.476290
C 2.044818 -0.168802 -0.133725
C 2.835516 0.717898 -1.135586
C 2.975380 -0.642360 1.013068
C 4.062291 -0.041136 -1.695965
C 4.206280 -1.399713 0.457231
C 4.988407 -0.536585 -0.561011
C -0.437000 0.410961 0.326381
C -1.016700 -0.937798 0.194680
C -1.353474 1.526893 0.382801
C -2.399158 -1.056477 -0.130022
C -0.297686 -2.150463 0.423055
C -2.808027 1.370081 0.269922
C -3.007713 -2.310902 -0.362679
C -0.901589 -3.402635 0.230587
C -2.253635 -3.483864 -0.196412
H 1.658810 -1.041732 -0.689891
H 3.173929 1.637490 -0.615757
H 2.165700 1.036024 -1.956481
H 2.417347 -1.276046 1.729013
H 3.312605 0.248782 1.579913
H 4.618158 0.619363 -2.387561
H 3.716029 -0.909413 -2.293811
H 3.872961 -2.336443 -0.036251
H 4.864306 -1.699378 1.294636
H 5.832274 -1.115434 -0.981610
H 5.427261 0.337622 -0.038221
H 1.112100 1.632365 0.619028
H 0.725008 -2.114396 0.800577
H -4.066908 -2.332838 -0.633424
H -0.330763 -4.316379 0.422146
H -2.721689 -4.459644 -0.362007


