%chk=000075623.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075623

0 1
 O  -0.2379000       1.360300      0.9148000    
 O   -2.630200      -2.588700      0.5289000    
 N    1.294500     -0.8593000     -0.8637000    
 N   -1.078600     -0.8375000      0.8131000    
 C   0.8829000      -2.016900     -0.1049000    
 C   0.1160000      -1.591300       1.137500    
 C   0.5102000     -0.4782000      -2.039300    
 C    2.425400     -0.1138000     -0.5034000    
 C   -2.495400      0.8751000      0.3780000    
 C   -3.210500     -0.3077000      0.2627000    
 C   -1.118300      0.5390000      0.7371000    
 C   -2.300900      -1.417300      0.5465000    
 C    3.180300     -0.4729000      0.6188000    
 C    1.056600      -1.164400      -3.276500    
 C    2.810900      0.9962000      -1.263200    
 C   -3.082000       2.106400      0.1694000    
 C   -4.550200     -0.3217000     -6.7100003E-02
 C    4.306000      0.2688000      0.9769000    
 C   -4.438900       2.116700     -0.1666000    
 C   -5.165900      0.9144000     -0.2835000    
 C    3.936700       1.737800     -0.9052000    
 C    4.684200       1.374300      0.2150000    
 C    5.105000     -0.1191000       2.174700    
 H    1.726000      -2.669700      0.1492000    
 H   0.2282000      -2.648400     -0.7207000    
 H   0.7290000     -0.9818000       1.808300    
 H  -0.1879000      -2.489100       1.687900    
 H  -0.5232000     -0.8255000      -1.913800    
 H   0.4077000      0.6032000      -2.172100    
 H    2.933900      -1.327700       1.240100    
 H    2.083400     -0.8532000      -3.492500    
 H    1.057600      -2.253400      -3.159400    
 H   0.4404000     -0.9200000      -4.147600    
 H    2.288300       1.324500      -2.154400    
 H   -2.523500       3.030600      0.2595000    
 H   -5.109400      -1.245600     -0.1569000    
 H   -4.942800       3.064000     -0.3402000    
 H   -6.220000      0.9518000     -0.5458000    
 H    4.234600       2.596000      -1.500600    
 H    5.560300       1.959800      0.4808000    
 H    5.738000      0.7050000       2.521100    
 H    4.448000     -0.3918000       3.007500    
 H    5.749300     -0.9714000       1.936900    


%chk=000075623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000075623

0 1
O -0.638319 1.433773 1.778485
O -2.371389 -2.536818 -0.073472
N 1.331406 -0.797713 -0.873079
N -1.194369 -0.712978 0.900626
C 0.841675 -1.883793 -0.018727
C 0.052277 -1.413933 1.237384
C 0.610200 -0.554418 -2.139749
C 2.538324 -0.129421 -0.582045
C -2.817903 0.947089 0.673637
C -3.344231 -0.249818 0.129655
C -1.438421 0.667810 1.190775
C -2.312647 -1.327851 0.272445
C 3.265985 -0.395482 0.619427
C 1.201275 -1.314776 -3.351863
C 3.080147 0.846777 -1.477302
C -3.561521 2.136449 0.681166
C -4.631474 -0.298319 -0.425469
C 4.477991 0.266952 0.925023
C -4.864963 2.099158 0.119732
C -5.392076 0.900407 -0.424588
C 4.280202 1.512842 -1.166007
C 4.987930 1.234500 0.024804
C 5.225702 -0.072362 2.205578
H 1.680139 -2.516951 0.333338
H 0.183954 -2.539670 -0.614981
H 0.651805 -0.708368 1.837575
H -0.190543 -2.299344 1.855673
H -0.440614 -0.864471 -1.996442
H 0.584228 0.532397 -2.344760
H 2.888668 -1.122851 1.346359
H 2.255034 -1.033992 -3.522138
H 1.163220 -2.406308 -3.183210
H 0.626936 -1.089195 -4.269989
H 2.573447 1.088467 -2.415544
H -3.144642 3.055029 1.105710
H -5.028333 -1.229971 -0.840714
H -5.475198 3.008588 0.106393
H -6.401622 0.902124 -0.849317
H 4.669065 2.259801 -1.868396
H 5.920648 1.761640 0.254453
H 5.953506 0.715885 2.465012
H 4.534982 -0.192048 3.060187
H 5.787315 -1.021334 2.101654


