%chk=000107807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107807

0 1
 O  -0.5693000       2.370000      0.9356000    
 O  -0.3390000      -2.988800      0.5298000    
 O  -0.2937000      -1.371500      -1.075900    
 O    2.938800      -1.167000     -0.6712000    
 O    3.692200     -0.7501000       1.466000    
 N   -1.617600      0.3249000      0.6657000    
 N    1.724500       1.232000       1.608900    
 C   -3.908000     -0.1630000      0.4901000    
 C   -2.852000      0.8780000      0.1020000    
 C   -3.142300      -1.483600      0.3708000    
 C   -1.731000      -1.125900      0.8499000    
 C   -5.200300     -9.4599999E-02 -0.3179000    
 C   -2.709800       1.095700      -1.409300    
 C   -4.981800      0.1061000      -1.814000    
 C   -4.059600       1.288800      -2.087200    
 C  -0.6032000       1.152300       1.127000    
 C  -0.7202000      -1.808800     -1.7500000E-02
 C   0.5125000      0.4809000       1.888000    
 C   0.2005000      0.4807000       3.370900    
 C    2.279000      0.8700000      0.3101000    
 C    3.143200       2.000600     -0.2677000    
 C    3.060900     -0.4228000      0.4694000    
 C    3.686800       1.729100      -1.675900    
 C    4.485000       2.914800      -2.197400    
 C    3.618600      -2.426400     -0.6627000    
 C    3.385800      -3.121300      -1.987300    
 H   -4.160300     -3.0099999E-02   1.552100    
 H   -3.077800       1.839600      0.5793000    
 H   -3.587700      -2.269200      0.9906000    
 H   -3.139600      -1.851700     -0.6622000    
 H   -1.577100      -1.363600       1.905800    
 H   -5.800100     -0.9965000     -0.1490000    
 H   -5.794800      0.7493000      5.5799998E-02
 H   -2.070000       1.966200      -1.598300    
 H   -2.203400      0.2437000      -1.878100    
 H   -4.558000     -0.8032000      -2.256200    
 H   -5.947800      0.2739000      -2.303800    
 H   -4.525600       2.214500      -1.728400    
 H   -3.915300       1.400000      -3.167800    
 H   0.6549000     -0.5601000       1.600300    
 H    2.422600       1.094900       2.339000    
 H   0.9985000     -6.5000001E-03   3.942200    
 H  -0.7339000     -4.7300000E-02   3.586500    
 H   8.5400000E-02   1.500500       3.757300    
 H   0.3266000      -3.450500     -2.3600001E-02
 H    1.467000      0.6944000     -0.4075000    
 H    3.991300       2.190400      0.4039000    
 H    2.549100       2.923800     -0.2926000    
 H    2.857300       1.520500      -2.361000    
 H    4.338400      0.8490000      -1.669700    
 H    3.861900       3.813000      -2.253900    
 H    4.866300       2.702600      -3.201100    
 H    5.339400       3.129000      -1.547500    
 H    3.228800      -3.045300      0.1532000    
 H    4.691600      -2.261000     -0.5146000    
 H    2.315100      -3.277000      -2.156800    
 H    3.752100      -2.505100      -2.815000    
 H    3.892800      -4.089700      -2.015800    


%chk=000107807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107807

0 1
O -0.667340 2.287728 0.315074
O 0.220194 -2.372602 1.864422
O -0.481505 -2.350749 -0.351927
O 2.323904 -0.628624 -1.394390
O 2.487044 -1.365955 0.804846
N -1.668947 0.251959 0.764510
N 1.745678 1.364546 1.650406
C -3.950155 -0.316650 0.498332
C -2.835320 0.574889 -0.113375
C -3.184135 -1.616790 0.861476
C -1.792394 -1.122059 1.354832
C -5.187418 -0.498220 -0.413590
C -2.541863 0.277324 -1.606940
C -4.828056 -0.793238 -1.890209
C -3.845085 0.267536 -2.438105
C -0.657791 1.189319 0.955219
C -0.649934 -2.018178 0.844841
C 0.400115 0.882880 2.041216
C -0.024309 1.628264 3.333412
C 2.293191 1.084195 0.319533
C 3.702618 1.745352 0.225916
C 2.383034 -0.422021 -0.030695
C 4.339994 1.782384 -1.179760
C 5.684196 2.542502 -1.175470
C 2.399289 -2.045856 -1.894818
C 2.498865 -1.963842 -3.413881
H -4.277152 0.158562 1.445866
H -3.057273 1.651214 0.000198
H -3.694819 -2.209232 1.638926
H -3.053458 -2.252438 -0.031772
H -1.738199 -1.083566 2.456447
H -5.835460 -1.298623 -0.004317
H -5.785049 0.435624 -0.381096
H -1.832756 1.038076 -1.979485
H -2.039665 -0.705074 -1.694311
H -4.365818 -1.796823 -1.981827
H -5.754767 -0.814924 -2.495403
H -4.325003 1.267979 -2.403278
H -3.609355 0.063551 -3.499924
H 0.408276 -0.202033 2.259130
H 2.426824 1.179730 2.397944
H 0.717664 1.454567 4.135249
H -1.005900 1.274074 3.698749
H -0.081532 2.710632 3.131170
H 1.138905 -2.557340 1.498081
H 1.638499 1.551716 -0.437954
H 4.389631 1.235503 0.935094
H 3.564849 2.779603 0.595658
H 3.636711 2.267922 -1.884383
H 4.493774 0.755062 -1.559098
H 5.550857 3.586287 -0.833863
H 6.130878 2.572219 -2.186064
H 6.413637 2.058832 -0.498071
H 1.483359 -2.557906 -1.554637
H 3.280910 -2.526495 -1.432994
H 1.618542 -1.449778 -3.835379
H 3.405929 -1.418790 -3.727619
H 2.540792 -2.983620 -3.838614


