%chk=000086788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086788

0 1
 O   -6.212800      0.7587000      7.8999996E-03
 O    8.475400      0.6417000     -5.8899999E-02
 O   -6.073100      -1.476000      0.5421000    
 N    2.331500      -1.121100     -0.2754000    
 C   -1.838200      -1.165400     -8.2300000E-02
 C   -8.213300       2.025000     -0.3991000    
 C   -7.640100      0.6610000     -4.6500001E-02
 C   -4.081800     -0.1355000      0.3274000    
 C   -3.304900      -1.180700     -1.4400000E-02
 C   0.9345000      -1.135800     -0.2108000    
 C   -1.098100      -1.494400       1.044900    
 C   -1.212800     -0.8218000      -1.272800    
 C   0.2951000      -1.479500      0.9802000    
 C   0.1805000     -0.8070000      -1.337300    
 C   -5.554100     -0.3923000      0.3149000    
 C   -9.730000       2.001700     -0.4603000    
 C    4.370300      0.1708000     -9.9999997E-05
 C   -3.596200       1.221300      0.7506000    
 C    2.907200      3.3000000E-03  2.2399999E-02
 C    4.917400       1.400800      0.3285000    
 C    5.172300     -0.9043000     -0.3486000    
 C    7.123400      0.4870000     -4.0700000E-02
 C    6.303100       1.560000      0.3080000    
 C    6.558000     -0.7450000     -0.3689000    
 C    8.986800       1.927400      0.2893000    
 H   -7.806100       2.357200      -1.361500    
 H   -7.881900       2.765000      0.3393000    
 H   -7.923400     -7.5400002E-02 -0.8076000    
 H   -8.016600      0.3347000      0.9301000    
 H   -3.744500      -2.134400     -0.2992000    
 H   -1.583900      -1.764300       1.979000    
 H   -1.788500     -0.5638000      -2.157900    
 H   0.8738000      -1.737900       1.863200    
 H   0.6695000     -0.5385000      -2.270200    
 H   -10.15720       1.709900      0.5044000    
 H   -10.11460       2.993900     -0.7158000    
 H   -10.08100       1.295500      -1.219500    
 H   -3.830600       1.966600     -1.6500000E-02
 H   -4.079900       1.521900       1.686100    
 H   -2.516700       1.252200      0.9232000    
 H    2.312200      0.8914000      0.3089000    
 H    4.288000       2.243200      0.6017000    
 H    4.757800      -1.874000     -0.6082000    
 H    6.675500       2.543400      0.5740000    
 H    7.192100      -1.584500     -0.6408000    
 H    8.662700       2.695300     -0.4213000    
 H    8.743400       2.190500       1.324400    
 H    10.07810       1.870200      0.2224000    


%chk=000086788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086788

0 1
O -6.748746 0.574955 0.102480
O 8.904506 -0.065827 0.748490
O -5.749915 -0.105680 -1.885577
N 2.419731 0.008685 0.511187
C -1.796906 0.086966 -0.288453
C -9.137624 0.875928 0.429574
C -8.067071 0.465326 -0.582553
C -4.347612 0.384301 0.077357
C -3.214442 0.085134 -0.652482
C 1.043449 0.048908 0.196844
C -1.263934 0.278063 1.026951
C -0.858134 -0.154428 -1.341219
C 0.118897 0.243378 1.262435
C 0.526416 -0.168665 -1.116538
C -5.629116 0.251711 -0.681752
C -10.551858 0.795259 -0.187809
C 4.767741 0.349260 -0.046141
C -4.390729 0.829857 1.526406
C 3.331786 0.479974 -0.308878
C 5.706251 0.911779 -0.951049
C 5.256739 -0.338582 1.106031
C 7.558124 0.112669 0.419057
C 7.094466 0.801183 -0.731513
C 6.631481 -0.456661 1.337440
C 9.913006 0.498320 -0.155161
H -8.932015 1.905982 0.776677
H -9.070370 0.217426 1.315874
H -8.058771 1.122046 -1.472756
H -8.197880 -0.576591 -0.930683
H -3.415527 -0.193876 -1.697871
H -1.932626 0.430891 1.875176
H -1.240724 -0.336109 -2.353183
H 0.519815 0.370993 2.273025
H 1.213741 -0.386097 -1.942238
H -10.787000 -0.232787 -0.521424
H -11.318923 1.093961 0.548339
H -10.646486 1.464035 -1.063758
H -5.406798 1.143171 1.803991
H -4.094462 0.009715 2.208932
H -3.703059 1.677582 1.703190
H 3.056635 1.027174 -1.236607
H 5.344225 1.444088 -1.839854
H 4.527073 -0.767963 1.799599
H 7.793795 1.244653 -1.445979
H 7.023814 -0.979936 2.214607
H 9.843161 0.048086 -1.163995
H 9.814134 1.598377 -0.228357
H 10.880043 0.241369 0.300468


