%chk=000080185.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080185

0 1
 O    3.414600      -2.295900      0.1264000    
 O   -3.413800      -2.296600     -9.2100002E-02
 N    1.367100      -1.185800      0.3474000    
 N   -1.370300      -1.193400     -0.3572000    
 C   0.5853000      -2.416700      0.4875000    
 C   0.5865000      5.6499999E-02  0.4595000    
 C  -0.5912000      -2.426200     -0.4843000    
 C  -0.5870000      4.0199999E-02 -0.5168000    
 C    2.750200      -1.262500      0.1754000    
 C   -2.751200      -1.263200     -0.1675000    
 C    3.493600     -5.9000002E-03  3.7700001E-02
 C   -3.493600     -4.4000000E-03 -3.1900000E-02
 C    3.996000      0.6293000       1.170500    
 C   -4.009900      0.6205000      -1.164200    
 C    3.694000      0.5456000      -1.225200    
 C   -3.678500      0.5585000       1.228200    
 C    4.703400       1.824300       1.039700    
 C   -4.715600       1.816700      -1.035500    
 C    4.401600       1.740600      -1.355900    
 C   -4.384400       1.754700       1.356800    
 C    4.906200       2.379900     -0.2235000    
 C   -4.902900       2.383800      0.2249000    
 H   0.2251000      -2.449400       1.522800    
 H    1.212700      -3.298700      0.3254000    
 H    1.197400      0.9437000      0.2834000    
 H   0.2207000      0.1070000       1.492200    
 H  -0.2328000      -2.475100      -1.519500    
 H   -1.217800      -3.305700     -0.3062000    
 H   -1.196500      0.9342000     -0.3720000    
 H  -0.2224000      5.3599998E-02  -1.551000    
 H    3.842900      0.2047000       2.159100    
 H   -3.868900      0.1868000      -2.150700    
 H    3.304000      5.5500001E-02  -2.113400    
 H   -3.277500      7.6499999E-02   2.115900    
 H    5.096100       2.322300       1.921400    
 H   -5.119200       2.306700      -1.916800    
 H    4.559300       2.173600      -2.339500    
 H   -4.529900       2.196600       2.338100    
 H    5.456800       3.310500     -0.3254000    
 H   -5.452200       3.315300      0.3251000    


%chk=000080185-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080185

0 1
O 3.141986 -2.278524 -0.694746
O -3.121280 -2.279725 0.733770
N 1.405796 -1.091616 0.311152
N -1.403940 -1.102331 -0.315071
C 0.613336 -2.333004 0.479882
C 0.612940 0.144551 0.464439
C -0.605708 -2.342237 -0.466755
C -0.616013 0.134542 -0.488226
C 2.687660 -1.177234 -0.241960
C -2.678617 -1.184536 0.255346
C 3.550779 0.060939 -0.249293
C -3.548602 0.048728 0.249333
C 3.671392 0.909231 0.882616
C -3.682096 0.878768 -0.894607
C 4.361988 0.303338 -1.387004
C -4.352533 0.304611 1.389307
C 4.575224 1.994376 0.867312
C -4.591499 1.959374 -0.889111
C 5.250020 1.399687 -1.409208
C -5.246256 1.396416 1.401308
C 5.357656 2.249814 -0.282840
C -5.366805 2.228424 0.262745
H 0.266338 -2.395625 1.529442
H 1.274474 -3.185831 0.257993
H 1.234792 1.022526 0.233221
H 0.255870 0.230013 1.510852
H -0.258680 -2.417053 -1.515441
H -1.262419 -3.195266 -0.232931
H -1.241202 1.013691 -0.271084
H -0.259491 0.204161 -1.535895
H 3.087021 0.699623 1.786117
H -3.103700 0.657977 -1.799279
H 4.298075 -0.386649 -2.234823
H -4.278320 -0.371820 2.247159
H 4.674201 2.633214 1.751819
H -4.700418 2.583952 -1.782593
H 5.865614 1.584691 -2.296311
H -5.856232 1.591935 2.290032
H 6.054897 3.094920 -0.296533
H -6.068349 3.070051 0.268666


