%chk=000115954.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115954

0 1
 O   -3.916100       1.769400       1.184600    
 O   -5.617700      0.9623000     -0.8598000    
 N   0.1324000      -1.274400      0.5888000    
 N    2.786300     -0.3634000      5.4200001E-02
 N    6.683500       1.191200     -0.4145000    
 C   0.4270000     -0.5214000     -0.6363000    
 C    1.289000      -2.099900      0.9580000    
 C    1.635000      0.3980000     -0.4401000    
 C    2.524900      -1.232700       1.208300    
 C   -1.055100      -2.108100      0.4057000    
 C    4.077900      0.1522000     -0.1015000    
 C   -2.271200      -1.286200      7.0299998E-02
 C    4.309000       1.537300     -0.1207000    
 C    5.185900     -0.6989000     -0.2432000    
 C   -2.533200     -0.1285000      0.7893000    
 C   -3.113600      -1.698600     -0.9527000    
 C   -3.660200      0.6324000      0.4792000    
 C   -4.240700     -0.9378000      -1.263000    
 C   -4.514100      0.2277000     -0.5470000    
 C    5.606700       1.997000     -0.2767000    
 C    6.444300     -0.1391000     -0.3941000    
 C   -3.353600       2.981600      0.6862000    
 C   -6.826400      0.6399000     -0.1749000    
 H  -0.4034000      0.1216000     -0.9457000    
 H   0.6272000      -1.208700      -1.470200    
 H    1.509900      -2.834200      0.1714000    
 H    1.072300      -2.659800       1.876000    
 H    1.867200      0.8657000      -1.405100    
 H    1.381500       1.194900      0.2709000    
 H    2.376300     -0.6116000       2.101100    
 H    3.371800      -1.897400       1.414200    
 H   -1.276900      -2.653600       1.332300    
 H  -0.8781000      -2.862000     -0.3734000    
 H   -1.884600      0.1910000       1.601000    
 H    3.505100       2.256900     -5.1000002E-03
 H    5.071200      -1.778400     -0.2484000    
 H   -2.912200      -2.604700      -1.516900    
 H   -4.901100      -1.258700      -2.064000    
 H    5.821300       3.060500     -0.2928000    
 H    7.321400     -0.7674000     -0.5091000    
 H   -3.732500       3.198000     -0.3176000    
 H   -2.260900       2.919100      0.6702000    
 H   -3.647800       3.795800       1.354100    
 H   -7.610500       1.315800     -0.5271000    
 H   -6.706000      0.7761000      0.9044000    
 H   -7.127700     -0.3896000     -0.3927000    


%chk=000115954-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115954

0 1
O -3.845891 1.647942 1.350039
O -5.895240 0.906911 -0.610178
N 0.195093 -1.370597 0.168867
N 2.912658 -0.363140 0.064872
N 6.938994 1.176839 -0.058632
C 0.653868 -0.561679 -0.981684
C 1.318661 -2.190643 0.669962
C 1.799841 0.377692 -0.570541
C 2.475417 -1.289901 1.133965
C -1.017850 -2.168735 -0.129666
C 4.216628 0.155467 0.049696
C -2.272402 -1.315066 -0.286888
C 4.570769 1.316437 -0.712350
C 5.293477 -0.452647 0.773888
C -2.494896 -0.203670 0.561837
C -3.253446 -1.644531 -1.253646
C -3.676601 0.557097 0.462857
C -4.454236 -0.905261 -1.339515
C -4.685473 0.184576 -0.474635
C 5.905216 1.764341 -0.734941
C 6.592965 0.078967 0.682027
C -3.960831 2.969251 0.689633
C -6.767620 0.878735 0.587801
H -0.189610 0.047181 -1.352032
H 1.000436 -1.217852 -1.821011
H 1.697049 -2.896179 -0.113997
H 0.972066 -2.791110 1.531505
H 2.164616 0.878955 -1.481032
H 1.405363 1.154715 0.121086
H 2.145693 -0.712626 2.025838
H 3.313864 -1.936027 1.435030
H -1.159040 -2.867979 0.719509
H -0.889029 -2.802303 -1.043976
H -1.733148 0.085967 1.292495
H 3.829297 1.885308 -1.277721
H 5.144202 -1.334105 1.401792
H -3.086765 -2.488466 -1.933757
H -5.231033 -1.159403 -2.067901
H 6.166788 2.652721 -1.322727
H 7.411775 -0.397141 1.235085
H -4.796842 2.981009 -0.032737
H -3.014764 3.217380 0.171685
H -4.141369 3.688474 1.502966
H -7.629926 1.514904 0.336536
H -6.237833 1.273262 1.473446
H -7.107391 -0.155772 0.784750


