%chk=000054206.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054206

0 1
 O   0.7943000     -0.8700000       1.028500    
 O    1.333300       3.464300     -0.6171000    
 O   -2.870700       1.526800     -0.5867000    
 O    7.215400      0.1321000       1.504900    
 O   -4.813200      -4.793700     -0.8200000    
 O    4.285000      -2.582700     -0.8145000    
 O  -0.1966000      -4.646000     -0.7879000    
 O    6.307000      -1.813800     -0.4406000    
 O   -2.089600      -5.681300     -0.3833000    
 O    7.574800      0.7396000     -0.6557000    
 O   -4.314300      -5.229000       1.354400    
 N    1.154900       1.214200      4.6900000E-02
 N   -1.036200      0.2043000      6.2899999E-02
 N    5.064300      -1.656900     -0.4886000    
 N   -1.402100      -4.635200     -0.4454000    
 C   0.3469000      9.0700001E-02  0.3879000    
 C  -0.8103000       2.592100     -0.2099000    
 C    2.593400       1.029800      0.1015000    
 C   -1.830000      -1.008500      0.1345000    
 C   0.6637000       2.493700     -0.2667000    
 C   -1.693800       1.407300     -0.2497000    
 C    3.137100     -0.2071000     -0.2155000    
 C   -1.247400      -2.227100     -0.1839000    
 C    3.404000       2.094000      0.4707000    
 C   -3.160900     -0.9309000      0.5197000    
 C   -1.371300       3.810000     -0.1679000    
 C    4.519700     -0.3834000     -0.1622000    
 C   -2.011300      -3.392200     -0.1155000    
 C    5.344400      0.6790000      0.2078000    
 C   -3.350200      -3.326500      0.2704000    
 C    4.786600       1.917600      0.5241000    
 C   -3.924800      -2.096000      0.5881000    
 C   -2.813900       4.087400     -0.1008000    
 C   -3.531800       4.255800      -1.275300    
 C   -3.432900       4.174000       1.137200    
 C    6.793600      0.5320000      0.2755000    
 C   -4.179800      -4.522900      0.3525000    
 C   -4.900400       4.516800      -1.210400    
 C   -4.801600       4.435100       1.202000    
 C   -5.535400       4.606500      2.8300000E-02
 H    2.502600      -1.015500     -0.5671000    
 H  -0.2252000      -2.272000     -0.5481000    
 H    3.022700       3.052900      0.8040000    
 H   -3.637500     -1.6100001E-02  0.8540000    
 H  -0.7588000       4.709100     -0.1525000    
 H    5.418100       2.747800      0.8305000    
 H   -4.962500      -2.034600      0.9067000    
 H   -3.048800       4.189100      -2.246700    
 H   -2.872600       4.041900       2.059100    
 H   -5.471800       4.650100      -2.124400    
 H   -5.296100       4.504500       2.166500    
 H   -6.601200       4.809500      7.8800000E-02
 H    8.190900      3.5399999E-02   1.542600    
 H   -5.369200      -5.599500     -0.7571000    


%chk=000054206-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054206

0 1
O 0.964111 -1.359635 0.491769
O 1.121353 3.299120 0.240286
O -3.097758 0.906116 0.196070
O 7.257896 -0.558896 0.727834
O -4.678631 -5.424644 -0.576998
O 4.771614 -1.271358 -2.291849
O -1.626902 -4.277714 -2.690406
O 6.528261 0.127380 -1.877954
O -1.987665 -5.907438 -1.131303
O 7.523742 1.704187 1.208090
O -4.337960 -5.729412 1.705753
N 1.037706 0.977599 0.360111
N -1.061158 -0.193086 0.338919
N 5.363299 -0.353190 -1.608130
N -1.963890 -4.678046 -1.512394
C 0.355458 -0.267353 0.395852
C -1.083104 2.272106 0.121913
C 2.489889 0.932598 0.446343
C -1.782734 -1.456370 0.413749
C 0.408807 2.256940 0.245168
C -1.838979 1.010640 0.215632
C 3.223734 0.261118 -0.549825
C -1.600451 -2.421392 -0.594284
C 3.152461 1.585392 1.507430
C -2.648836 -1.707622 1.498635
C -1.608346 3.550603 -0.079296
C 4.626427 0.237842 -0.459063
C -2.299451 -3.637953 -0.502816
C 5.320070 0.841124 0.619025
C -3.212428 -3.902754 0.547592
C 4.558010 1.533515 1.587880
C -3.361480 -2.921320 1.555021
C -2.907166 4.175305 -0.283029
C -4.189783 3.536901 -0.311399
C -2.858232 5.599233 -0.481291
C 6.801762 0.751393 0.845165
C -4.082947 -5.121179 0.644466
C -5.354087 4.296080 -0.532829
C -4.025317 6.349254 -0.699920
C -5.282556 5.696953 -0.727341
H 2.734524 -0.231477 -1.393251
H -0.912986 -2.259761 -1.427648
H 2.577878 2.129248 2.260975
H -2.779277 -0.955721 2.281020
H -0.788069 4.287721 -0.096931
H 5.081900 2.021573 2.414822
H -4.050894 -3.120629 2.380573
H -4.246058 2.458364 -0.156561
H -1.885386 6.105634 -0.463642
H -6.326617 3.793082 -0.553877
H -3.961969 7.431876 -0.849180
H -6.197178 6.275643 -0.897979
H 8.246039 -0.587023 0.841908
H -5.216145 -6.258066 -0.496306


