%chk=000160091.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160091

0 1
 O   -3.865700      -2.357000      0.3323000    
 O   -1.750900     -0.7534000       1.371800    
 O   -5.967000     -0.5686000      0.8402000    
 O   -5.414300       2.082400       1.493800    
 O   -4.919300       3.094200      -1.083500    
 O    1.075000      -1.728800      0.5775000    
 N  -0.1088000     -0.8454000      -1.210600    
 C   -3.722500     -0.9816000     -1.8200001E-02
 C   -2.227200     -0.6022000      3.6499999E-02
 C   -4.612200     -0.1289000      0.9176000    
 C   -1.378200      -1.483300     -0.8844000    
 C   -4.570600       1.378500      0.5847000    
 C    3.498700     -0.5453000     -2.4000001E-03
 C    4.746300      0.2397000     -0.4173000    
 C    2.291800     -0.2926000     -0.9088000    
 C    5.931300      4.3900002E-02  0.5308000    
 C    1.041800      -1.024200     -0.4348000    
 C   -5.017900       1.700200     -0.8415000    
 C    7.158100      0.8239000      5.2499998E-02
 C  -0.1248000     -5.7999999E-03  -2.406300    
 C    8.353000      0.6042000      0.9803000    
 C    9.583600       1.350100      0.4898000    
 H   -4.088400     -0.9100000      -1.047400    
 H   -2.102400      0.4488000     -0.2392000    
 H   -4.313900     -0.2866000       1.961100    
 H   -1.160200      -2.443000     -0.4012000    
 H   -1.900100      -1.693900      -1.825000    
 H   -3.564300       1.780700      0.7420000    
 H    3.731700      -1.617600      5.5000000E-03
 H    3.238300     -0.2775000       1.029700    
 H    5.035900     -6.3600004E-02  -1.431000    
 H    4.498800       1.307600     -0.4651000    
 H    2.534100     -0.6225000      -1.925100    
 H    2.083600      0.7833000     -0.9130000    
 H    5.653500      0.3728000       1.539400    
 H    6.174500      -1.023600      0.5937000    
 H   -6.063900       1.415000     -0.9943000    
 H   -4.395500       1.195200      -1.584200    
 H    7.420800      0.5064000     -0.9639000    
 H    6.919600       1.893500      5.5000000E-03
 H   -3.681400      -2.447300       1.282300    
 H   0.7899000      0.5586000      -2.578500    
 H  -0.9504000      0.7082000      -2.326800    
 H  -0.2965000     -0.6515000      -3.273400    
 H   -1.802600      -1.694100       1.610300    
 H   -6.491200     -9.3000000E-03   1.438600    
 H    8.584200     -0.4656000       1.043400    
 H    8.105000      0.9430000       1.992900    
 H   -5.099400       1.892300       2.393900    
 H    9.396500       2.427700      0.4436000    
 H    10.42530       1.180200       1.168400    
 H    9.877500       1.009000     -0.5080000    
 H   -5.218000       3.249000      -1.995900    


%chk=000160091-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000160091

0 1
O -3.814218 -2.538459 0.235563
O -1.880161 -0.826011 1.323738
O -6.050164 -0.605038 0.517072
O -5.474043 1.877596 1.673105
O -4.639225 3.335851 -0.525894
O 0.680403 -0.935737 0.667022
N -0.160765 -0.867196 -1.486045
C -3.766945 -1.112050 -0.110891
C -2.288700 -0.660457 -0.075456
C -4.656832 -0.286119 0.845224
C -1.418668 -1.525243 -1.029007
C -4.454681 1.247242 0.775634
C 3.309744 -0.220069 0.012130
C 4.670888 0.297701 -0.502312
C 2.223236 -0.188627 -1.082306
C 5.774800 0.250773 0.578189
C 0.865526 -0.685662 -0.580107
C -4.740174 1.876926 -0.595709
C 7.145986 0.756441 0.076399
C -0.071471 -0.538642 -2.920984
C 8.249785 0.697925 1.157142
C 9.619213 1.197643 0.648406
H -4.186249 -1.048152 -1.130377
H -2.192291 0.401390 -0.392094
H -4.417269 -0.602238 1.884366
H -1.170662 -2.473451 -0.518527
H -1.999460 -1.775547 -1.933434
H -3.442058 1.521699 1.127016
H 3.418086 -1.254917 0.388625
H 2.974641 0.381963 0.876702
H 4.993877 -0.304833 -1.377848
H 4.560255 1.341354 -0.866168
H 2.547653 -0.797214 -1.950335
H 2.111933 0.850156 -1.458904
H 5.457570 0.856504 1.452490
H 5.881345 -0.791205 0.945912
H -5.741809 1.554125 -0.944862
H -3.986252 1.562744 -1.336768
H 7.462138 0.153472 -0.800867
H 7.044202 1.801265 -0.285516
H -3.294414 -2.618066 1.081945
H 0.802495 0.094616 -3.128242
H -0.973494 0.018271 -3.233436
H 0.002395 -1.454524 -3.539274
H -0.867577 -0.911260 1.316453
H -6.610126 0.019626 1.052145
H 8.347216 -0.345535 1.520831
H 7.934811 1.302695 2.032014
H -5.154769 1.839087 2.609063
H 9.556252 2.248536 0.307789
H 10.389803 1.144713 1.439376
H 9.969878 0.589072 -0.206613
H -5.200452 3.612068 0.245929


