%chk=000005711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005711

0 1
 O  -0.8301000      -1.560400     -0.7419000    
 N    5.546500       1.361300     -0.7827000    
 N   -1.632300      0.3326000      0.4024000    
 N   -5.776400      0.1224000     -0.1795000    
 C    3.617100     -3.0000001E-04 -0.1716000    
 C    3.033100     -0.9553000      0.8781000    
 C    2.717300       1.229700     -0.3518000    
 C   0.7048000     -0.1236000      0.3580000    
 C    1.596800      -1.351200      0.5425000    
 C    1.280500      0.8338000     -0.6857000    
 C    5.034900      0.4202000      0.2116000    
 C  -0.6671000     -0.5499000     -6.5700002E-02
 C    5.954300     -0.7923000      0.3174000    
 C   -3.031900      0.2615000      0.2060000    
 C   -3.843100       1.237200      0.7498000    
 C   -3.561300     -0.7820000     -0.5261000    
 C   -5.206100       1.122700      0.5289000    
 C   -4.937000     -0.8063000     -0.6897000    
 H    3.648700     -0.5347000      -1.132600    
 H    3.057800     -0.4865000       1.870000    
 H    3.618600      -1.878100      0.9431000    
 H    3.070900       1.869900      -1.167300    
 H    2.721500       1.837400      0.5621000    
 H   0.6460000      0.3952000       1.324400    
 H    1.608600      -1.963500     -0.3688000    
 H    1.196700      -1.990000       1.339600    
 H   0.6621000       1.737500     -0.7529000    
 H    1.253000      0.3686000      -1.680100    
 H    5.029400      0.9285000       1.184000    
 H    5.712300      -1.412900       1.185300    
 H    5.908900      -1.416900     -0.5816000    
 H    6.996800     -0.4789000      0.4496000    
 H    6.536300       1.536800     -0.6122000    
 H    5.089400       2.265800     -0.6760000    
 H   -1.317900       1.132900      0.9469000    
 H   -3.446400       2.064500       1.327700    
 H   -3.001300      -1.582500     -0.9832000    
 H   -5.897300       1.856900      0.9293000    
 H   -5.416100      -1.599600      -1.254400    


%chk=000005711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005711

0 1
O -0.898576 -0.884984 -1.397731
N 5.869726 1.058169 -0.799916
N -1.749957 0.347105 0.411109
N -5.987335 -0.166188 0.100080
C 3.713863 -0.016929 -0.156494
C 2.913823 -0.704982 0.979768
C 2.940282 1.233202 -0.654376
C 0.700153 0.232905 0.087543
C 1.461695 -1.035732 0.567954
C 1.486867 0.909277 -1.066746
C 5.161705 0.346142 0.291356
C -0.705865 -0.155347 -0.381909
C 5.994690 -0.902996 0.651524
C -3.145393 0.149842 0.266729
C -4.011888 0.754111 1.218738
C -3.730295 -0.618486 -0.775911
C -5.402760 0.569221 1.094312
C -5.136528 -0.738038 -0.805419
H 3.807192 -0.721346 -1.010334
H 2.905304 -0.039304 1.870050
H 3.412671 -1.642334 1.288902
H 3.458592 1.671285 -1.528149
H 2.935922 2.002126 0.149664
H 0.637258 0.945997 0.939023
H 1.460067 -1.768116 -0.262495
H 0.924904 -1.505412 1.415525
H 0.968796 1.833765 -1.388518
H 1.482126 0.219060 -1.931763
H 5.069118 0.974907 1.216080
H 5.565699 -1.449515 1.507810
H 6.048854 -1.584503 -0.217036
H 7.028105 -0.617637 0.928726
H 6.887251 1.081763 -0.677941
H 5.495474 1.986534 -1.017177
H -1.465360 0.927657 1.204010
H -3.613199 1.357176 2.043691
H -3.102867 -1.098704 -1.527339
H -6.087864 1.025575 1.817810
H -5.614254 -1.324766 -1.598252


