%chk=000160872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160872

0 1
 O   -3.747200       2.477900      0.8166000    
 N   -1.339900     -0.2983000     -0.9367000    
 N    1.261300     -0.5037000      0.4431000    
 C  -0.8908000      -1.508800       1.229100    
 C   0.1336000      -2.330200     -0.8536000    
 C   -1.839300     -0.5763000      0.4293000    
 C  -0.6196000      -2.766300      0.4009000    
 C   0.4706000     -0.8866000       1.620200    
 C  -0.7673000      -1.419000      -1.699300    
 C    1.460600      -1.646500     -0.4594000    
 C   -2.125200      0.7374000       1.176300    
 C    2.541300      7.8900002E-02  0.8386000    
 C   -1.822300      0.8134000      -1.612200    
 C   -2.919700       1.710900      0.3309000    
 C   -2.590000       1.784600      -1.110200    
 C    3.286300      0.6028000     -0.3885000    
 C    4.596300       1.224400     -1.3000000E-03
 C    4.911400       2.505300     -0.2236000    
 H   -1.401800      -1.802800       2.155200    
 H   0.3757000      -3.218900      -1.450000    
 H   -2.798400      -1.101500      0.3088000    
 H   -1.557500      -3.270000      0.1376000    
 H  -2.1700000E-02  -3.483900      0.9761000    
 H   0.3071000     -1.6799999E-02   2.265300    
 H    1.028100      -1.612800       2.228600    
 H  -0.1916000      -1.042000      -2.554300    
 H   -1.594200      -2.012000      -2.110800    
 H    2.119100      -2.392700      5.4000001E-03
 H    1.927300      -1.338500      -1.399600    
 H   -1.206900       1.264600       1.454200    
 H   -2.688600      0.5234000       2.091400    
 H    3.158700     -0.6512000       1.379200    
 H    2.363900      0.9190000       1.522900    
 H   -1.548200      0.8329000      -2.662000    
 H   -2.967100       2.605000      -1.706100    
 H    3.545500     -0.1989000      -1.086800    
 H    2.660300       1.320600     -0.9335000    
 H    5.331400      0.5836000      0.4791000    
 H    5.878800       2.893000      7.6200001E-02
 H    4.216500       3.185500     -0.7034000    


%chk=000160872-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000160872

0 1
O -3.487238 2.745616 0.900431
N -1.371796 -0.352759 -0.983530
N 1.304305 -0.647008 0.438811
C -0.911989 -1.518644 1.228231
C 0.081039 -2.422266 -0.862812
C -1.808052 -0.523215 0.435340
C -0.712667 -2.812511 0.405042
C 0.480098 -0.971844 1.625627
C -0.795246 -1.493921 -1.731225
C 1.446748 -1.811369 -0.464263
C -1.930326 0.856860 1.112946
C 2.598026 -0.022608 0.802900
C -1.899773 0.702127 -1.686226
C -2.797450 1.849977 0.310724
C -2.652609 1.730558 -1.130892
C 3.275803 0.713861 -0.381434
C 4.571268 1.378584 0.035641
C 4.842195 2.703108 -0.078920
H -1.457094 -1.747988 2.165119
H 0.290086 -3.324813 -1.470269
H -2.831887 -0.973281 0.402448
H -1.685807 -3.266864 0.133675
H -0.151675 -3.559792 0.998246
H 0.381009 -0.059910 2.241533
H 0.973698 -1.745872 2.273985
H -0.202996 -1.086986 -2.572290
H -1.614727 -2.110847 -2.166765
H 2.061109 -2.621988 0.016664
H 1.985701 -1.497064 -1.376567
H -0.926938 1.316259 1.209197
H -2.353511 0.745386 2.126586
H 3.313997 -0.776167 1.227330
H 2.401765 0.717066 1.601674
H -1.704905 0.683939 -2.766135
H -3.084275 2.501637 -1.773691
H 3.491960 -0.011804 -1.192378
H 2.568198 1.458895 -0.787986
H 5.338699 0.712953 0.463690
H 5.802602 3.123748 0.240106
H 4.109154 3.404445 -0.496862


