%chk=000003206.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003206

0 1
 O  -0.1303000      -4.171100      0.4851000    
 N   0.8716000     -0.6793000     -0.3796000    
 N    1.839100      0.5954000      -1.894500    
 N    1.573400      0.4280000       1.659400    
 N    2.968300       2.365000       1.150800    
 N    3.511500       3.004100      -1.090400    
 C   6.9499999E-02  -1.776700      0.1808000    
 C   -1.423100      -1.673100     -0.2251000    
 C   -2.064200     -0.3361000      0.1718000    
 C   0.6591000      -3.169100     -0.1592000    
 C   -3.555000     -0.3149000     -0.1748000    
 C   -4.244400       1.005300      0.1830000    
 C    1.516900      0.2714000      0.3283000    
 C    2.100900      -3.339800      0.3141000    
 C    1.080600     -0.4631000      -1.699400    
 C   -5.717600       1.115700     -0.2173000    
 C    2.119000       1.064300     -0.6356000    
 C   -6.367200       2.422900      0.2083000    
 C    2.867400       2.146000     -0.1824000    
 C    2.324500       1.505000       1.976700    
 H   0.1023000      -1.659900       1.272900    
 H   -1.525300      -1.815000      -1.308500    
 H   -1.986800      -2.483700      0.2525000    
 H   -1.937500     -0.1715000       1.248500    
 H   -1.568900      0.4931000     -0.3454000    
 H   0.6073000      -3.358200      -1.237100    
 H   -4.064300      -1.135100      0.3459000    
 H   -3.677100     -0.4980000      -1.249500    
 H   -3.694300       1.829200     -0.2892000    
 H   -4.159800       1.159500       1.266300    
 H    2.185300      -3.153300       1.390400    
 H    2.434300      -4.370100      0.1478000    
 H    2.786500      -2.670100     -0.2125000    
 H   0.6692000      -1.088200      -2.480200    
 H   -6.274900      0.2829000      0.2275000    
 H   -5.805000       1.011100      -1.305100    
 H  -8.6000003E-02  -4.015400       1.444100    
 H   -6.332900       2.539800       1.296000    
 H   -5.856300       3.278000     -0.2454000    
 H   -7.415700       2.446400     -0.1044000    
 H    2.426900       1.710400       3.036900    
 H    4.048700       3.783900     -0.7366000    
 H    3.437100       2.843400      -2.085800    


%chk=000003206-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003206

0 1
O -0.135347 -4.109000 0.747615
N 0.816815 -0.629893 -0.388973
N 1.808210 0.721866 -1.964891
N 1.867732 0.307114 1.659834
N 3.400557 2.163269 1.144407
N 3.806881 2.925179 -1.055765
C -0.000662 -1.702052 0.228950
C -1.473589 -1.630912 -0.231073
C -2.196050 -0.337308 0.202444
C 0.629795 -3.108806 -0.026610
C -3.671940 -0.296528 -0.252732
C -4.402797 0.996628 0.172476
C 1.655114 0.244016 0.312384
C 2.129421 -3.180759 0.300741
C 0.952335 -0.297233 -1.745203
C -5.882588 1.037291 -0.272324
C 2.254054 1.071092 -0.676437
C -6.603809 2.335116 0.151049
C 3.162742 2.065317 -0.206909
C 2.752786 1.296447 1.984351
H 0.053289 -1.502994 1.318955
H -1.526419 -1.737767 -1.334805
H -1.986544 -2.515022 0.191566
H -2.150439 -0.245624 1.307430
H -1.663569 0.546182 -0.204633
H 0.447008 -3.410173 -1.074864
H -4.209907 -1.174959 0.161141
H -3.718894 -0.396193 -1.357755
H -3.870123 1.874789 -0.248713
H -4.350799 1.103060 1.276337
H 2.327880 -2.829839 1.331834
H 2.479657 -4.222834 0.203400
H 2.724441 -2.551661 -0.383988
H 0.406118 -0.817277 -2.528570
H -6.414763 0.161652 0.152672
H -5.934710 0.926860 -1.374955
H 0.130644 -4.034766 1.700605
H -6.596274 2.452424 1.251207
H -6.107650 3.223553 -0.283228
H -7.658124 2.340288 -0.181715
H 2.976021 1.415017 3.048947
H 4.444938 3.616239 -0.666913
H 3.641361 2.867300 -2.058190


