%chk=000108162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108162

0 1
 O   -3.814500       1.948300      0.5027000    
 O   -2.104200       4.439100     -0.1310000    
 O   -6.350800       2.344000     -0.6046000    
 O   -3.169400      -4.342900      0.3230000    
 N   -2.346600      0.1015000      0.2530000    
 N  -8.9999996E-03 -2.8500000E-02 -6.0000001E-03
 N   -1.451000      -1.953600      0.1442000    
 N   -4.669300     -0.5746000      0.5045000    
 N   -5.011400      -2.951400      0.5299000    
 N   -6.802900      -1.432600      0.7338000    
 C   -2.450500       1.556000      0.2704000    
 C   -2.014800       2.230500      -1.022400    
 C   -2.799600       3.521300     -0.9721000    
 C   -4.107400       3.107700     -0.3053000    
 C   -5.182700       2.721800      -1.311700    
 C   -3.359200     -0.7896000      0.3599000    
 C   -1.212100     -0.6594000      0.1240000    
 C   -2.806900      -2.035200      0.2930000    
 C    1.271700     -0.5668000     -0.2829000    
 C    3.700100     -0.4760000     -0.2207000    
 C    2.447100      0.1069000      8.0200002E-02
 C    4.896800      0.1918000      0.1395000    
 C    3.759200      -1.725400     -0.8811000    
 C   -3.644300      -3.215000      0.3787000    
 C    4.837600       1.441200      0.7998000    
 C    1.332100      -1.797900     -0.9337000    
 C    6.149800     -0.3911000     -0.1615000    
 C    2.408000       1.345300      0.7349000    
 C   -5.468000      -1.713500      0.5862000    
 C    2.565900      -2.374000      -1.231100    
 C    3.587200       2.003400       1.089800    
 C    5.009600      -2.287600      -1.171200    
 C    6.188800      -1.629500     -0.8162000    
 C    6.030900       2.089800       1.149800    
 C    7.325100      0.2825000      0.2016000    
 C    7.264800       1.513700      0.8524000    
 H   -1.862600       1.906300       1.127500    
 H   -2.326300       1.638100      -1.891200    
 H  -0.9348000       2.388300      -1.080400    
 H   -2.935400       3.995300      -1.948400    
 H   -4.487500       3.879700      0.3733000    
 H   -4.871000       1.865700      -1.918700    
 H   -5.425500       3.562900      -1.968400    
 H   -1.257400       4.645600     -0.5623000    
 H   8.9999996E-03  0.9754000      0.1227000    
 H   -5.085400      0.3491000      0.5560000    
 H   -7.019900       2.098500      -1.266100    
 H   0.4475000      -2.330700      -1.266000    
 H    1.480600       1.840000       1.007200    
 H    2.587600      -3.331600      -1.747300    
 H    3.517800       2.962200       1.599900    
 H    5.079800      -3.247700      -1.678500    
 H    7.141100      -2.097200      -1.057900    
 H    6.010000       3.051400       1.658200    
 H    8.300100     -0.1465000     -1.9500000E-02
 H    8.182100       2.025700       1.128600    
 H   -7.490500      -2.174600      0.8053000    
 H   -7.141200     -0.4774000      0.7738000    


%chk=000108162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108162

0 1
O -3.714042 2.089328 0.743789
O -2.186412 4.593703 -0.152277
O -6.195983 1.964103 -0.473133
O -3.567139 -4.298696 -0.486561
N -2.381481 0.124764 0.517637
N 0.031522 -0.180625 0.553171
N -1.580142 -2.001557 0.151537
N -4.833596 -0.425425 0.375734
N -5.306191 -2.756257 -0.091772
N -7.054396 -1.198958 0.199558
C -2.350102 1.602184 0.507831
C -1.904044 2.208412 -0.851634
C -2.746775 3.500851 -0.956988
C -4.075894 3.110738 -0.280081
C -5.092965 2.527444 -1.271393
C -3.483780 -0.715869 0.319199
C -1.239747 -0.733293 0.409624
C -2.989615 -2.006999 0.082097
C 1.270946 -0.740969 0.159177
C 3.728811 -0.512630 -0.084611
C 2.465580 0.040422 0.342998
C 4.945217 0.240889 0.079946
C 3.784194 -1.823429 -0.685385
C -3.915052 -3.122193 -0.192098
C 4.915198 1.553677 0.678008
C 1.341434 -2.037554 -0.415652
C 6.208069 -0.312922 -0.352967
C 2.471140 1.361064 0.936327
C -5.692139 -1.516049 0.164469
C 2.576748 -2.556048 -0.834130
C 3.640588 2.084399 1.099899
C 5.059127 -2.353895 -1.109096
C 6.227427 -1.629915 -0.951345
C 6.125675 2.283255 0.834704
C 7.395013 0.450749 -0.179130
C 7.352379 1.732976 0.408679
H -1.716886 1.956348 1.345025
H -2.156315 1.509026 -1.668622
H -0.820345 2.404721 -0.894640
H -2.888932 3.817414 -2.010407
H -4.506489 3.963304 0.269038
H -4.626564 1.736430 -1.895759
H -5.462984 3.339870 -1.929091
H -1.321150 4.880128 -0.540039
H 0.085860 0.676253 1.102638
H -5.188335 0.544140 0.431728
H -6.840463 1.503055 -1.068755
H 0.422978 -2.622709 -0.506244
H 1.539238 1.827495 1.283041
H 2.610032 -3.558853 -1.275342
H 3.614572 3.079444 1.559741
H 5.080376 -3.352550 -1.560852
H 7.189326 -2.043068 -1.276085
H 6.096607 3.279340 1.291682
H 8.351963 0.029150 -0.508295
H 8.278576 2.304215 0.534911
H -7.670398 -2.001664 0.071949
H -7.382041 -0.438468 0.795847


