%chk=000045274.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045274

0 1
 O    1.558300      -1.154300      -1.023100    
 N    3.989700     -0.2503000     -8.2900003E-02
 N   0.5087000      0.6233000      9.5299996E-02
 C  -0.8551000      0.2454000      8.3600000E-02
 C   -1.846800       1.213100      6.6200003E-02
 C    2.878600      0.6926000     -0.2064000    
 C   -3.514700     -0.5353000      5.9099998E-02
 C   -3.185100      0.8203000      5.3800002E-02
 C    1.588800     -7.4299999E-02 -0.4417000    
 C   -1.166800      -1.105200      8.8500001E-02
 C   -2.505300      -1.498000      7.6300003E-02
 C   -1.523100       2.671800      5.9599999E-02
 C    3.765400      -1.160300       1.039600    
 C    5.252800      0.4673000      8.5199997E-02
 C   -4.945400     -0.9559000      4.6900000E-02
 H    2.797600       1.325900      0.6861000    
 H    3.022600       1.344700      -1.076300    
 H   0.6876000       1.590400      0.3533000    
 H   -3.976000       1.566700      4.2700000E-02
 H  -0.4117000      -1.882500      0.1377000    
 H   -2.749300      -2.557100      9.0099998E-02
 H  -0.8749000       2.920600     -0.7873000    
 H   -2.424200       3.287500     -3.6699999E-02
 H   -1.030400       2.959100      0.9942000    
 H    2.908500      -1.824100      0.8940000    
 H    3.627500     -0.6217000       1.984800    
 H    4.628200      -1.826600       1.161000    
 H    6.092600     -0.2353000      0.1265000    
 H    5.266400       1.075300      0.9972000    
 H    5.437900       1.125700     -0.7709000    
 H   -5.559300     -0.2473000     -0.5194000    
 H   -5.067100      -1.935300     -0.4281000    
 H   -5.328500      -1.013800       1.070500    


%chk=000045274-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045274

0 1
O 1.566686 -1.558775 -0.621944
N 4.068341 -0.243407 0.153353
N 0.492687 0.466793 -0.093521
C -0.887336 0.104142 -0.094556
C -1.843366 1.126345 0.201610
C 2.926061 0.497451 -0.378424
C -3.674217 -0.526817 -0.075906
C -3.214269 0.785242 0.202529
C 1.611828 -0.322985 -0.367716
C -1.325122 -1.215104 -0.379333
C -2.702638 -1.514090 -0.370314
C -1.406206 2.551370 0.503775
C 3.922045 -0.640942 1.563402
C 5.361322 0.387011 -0.155883
C -5.154944 -0.862867 -0.034059
H 2.752720 1.476090 0.156593
H 3.140801 0.753013 -1.435604
H 0.693559 1.441926 0.140119
H -3.947527 1.570899 0.426904
H -0.582649 -1.982863 -0.603648
H -3.023845 -2.538027 -0.596782
H -0.857895 3.010564 -0.343937
H -2.281128 3.191383 0.704014
H -0.753759 2.609263 1.398938
H 3.008169 -1.246638 1.685034
H 3.872061 0.229281 2.268386
H 4.781340 -1.268936 1.856955
H 6.180849 -0.279550 0.166611
H 5.513313 1.379641 0.342666
H 5.454365 0.535412 -1.247143
H -5.777089 0.002466 -0.324683
H -5.397786 -1.699681 -0.712440
H -5.468870 -1.165211 0.984401


