%chk=000071320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071320

0 1
 O   0.8094000       1.022600       1.339300    
 O   0.9459000      -1.891400      -2.943300    
 O    1.062500      -3.485200      -1.336300    
 O  -0.8385000       1.948900      -1.818100    
 O  -0.9486000       4.156200      -1.304400    
 N    1.202200      -1.519500      0.5757000    
 N   -1.395100       1.095500      0.5956000    
 N    7.263200       1.371900      0.9315000    
 C  -0.1871000      -1.073900      0.6995000    
 C  -0.8793000      -1.837700       1.824000    
 C    1.715900      -1.235300     -0.7543000    
 C   -2.198800      -1.213700       2.260800    
 C  -0.1991000      0.4350000      0.9384000    
 C    3.245200      -1.116400     -0.7494000    
 C   -3.029700     -0.7123000       1.107100    
 C   -2.649000      0.4290000      0.3646000    
 C    3.799300     -3.1999999E-03  0.1502000    
 C    5.321900      0.1391000      8.1200004E-02
 C   -1.364400       2.549700      0.4392000    
 C    1.208900      -2.318700      -1.683700    
 C   -4.252800      -1.346800      0.8309000    
 C   -3.544700      0.9341000     -0.5951000    
 C    5.813100       1.244700       1.015600    
 C   -5.108700     -0.8495000     -0.1487000    
 C   -4.758700      0.2951000     -0.8544000    
 C   -1.032800       2.981900     -0.9659000    
 H  -0.7230000      -1.291400     -0.2334000    
 H  -0.2307000      -1.908100       2.707400    
 H   -1.057700      -2.869100       1.490800    
 H    1.323100     -0.2778000      -1.121900    
 H   -2.758700      -1.947300       2.854400    
 H   -2.013400     -0.3753000       2.945500    
 H    1.289900      -2.514000      0.7820000    
 H    3.687200      -2.075400     -0.4467000    
 H    3.586700     -0.9451000      -1.778800    
 H    3.337500      0.9495000     -0.1376000    
 H    3.510100     -0.1966000       1.190100    
 H    5.620400      0.3613000     -0.9510000    
 H    5.788200     -0.8159000      0.3543000    
 H  -0.5913000       2.964000       1.095200    
 H   -2.327200       2.977700      0.7388000    
 H   -4.556100      -2.225700       1.395000    
 H   -3.331200       1.821300      -1.180800    
 H    5.354600       2.200900      0.7415000    
 H    5.527900       1.021900       2.049700    
 H   -6.053500      -1.345900     -0.3490000    
 H   -5.430300      0.6938000      -1.609300    
 H   0.6275000      -2.619800      -3.518000    
 H    7.579900       2.075600       1.597100    
 H    7.701600      0.4956000       1.212000    
 H  -0.6257000       2.255600      -2.725200    


%chk=000071320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071320

0 1
O 0.498637 1.552872 0.652692
O 1.470857 -1.077240 -3.273207
O 0.575296 -2.735285 -1.917708
O -1.192040 2.093323 -2.096769
O -1.188318 4.315186 -1.412382
N 1.179069 -1.166886 0.425475
N -1.765981 1.146778 0.402745
N 7.641578 0.480043 1.355516
C -0.238840 -0.823524 0.622951
C -0.715350 -1.440543 1.968481
C 1.784024 -0.823910 -0.866905
C -2.075614 -0.869951 2.450823
C -0.441833 0.706548 0.592920
C 3.329604 -1.008695 -0.813869
C -3.091972 -0.730751 1.331207
C -2.909204 0.270454 0.331809
C 3.999670 0.003161 0.139849
C 5.515113 -0.248367 0.291692
C -1.930345 2.590610 0.177057
C 1.204258 -1.657220 -2.023618
C -4.232674 -1.562529 1.247896
C -3.860324 0.432883 -0.705134
C 6.194729 0.762593 1.237657
C -5.186280 -1.403724 0.217066
C -4.999053 -0.398532 -0.758643
C -1.393326 3.111586 -1.158905
H -0.889450 -1.240414 -0.183618
H 0.061550 -1.247217 2.731590
H -0.791375 -2.536917 1.828708
H 1.581256 0.240589 -1.079140
H -2.478398 -1.516153 3.250757
H -1.895695 0.127641 2.898422
H 1.353886 -2.150489 0.672778
H 3.556386 -2.045794 -0.487017
H 3.738306 -0.893487 -1.835630
H 3.827793 1.029182 -0.244240
H 3.494421 -0.045473 1.122598
H 6.023088 -0.197504 -0.691253
H 5.680764 -1.276904 0.680610
H -1.389569 3.157449 0.954441
H -3.000870 2.848353 0.246465
H -4.379648 -2.334462 2.012747
H -3.687693 1.181734 -1.485081
H 6.079164 1.780372 0.817364
H 5.650174 0.756526 2.214690
H -6.065644 -2.055216 0.176444
H -5.726985 -0.270749 -1.567151
H 1.107522 -1.663212 -3.992447
H 8.177452 1.209606 1.836064
H 7.846742 -0.451272 1.733317
H -0.808856 2.484832 -2.928014


