%chk=000038050.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038050

0 1
 O    2.816700     -0.8054000      -2.012100    
 O    3.507600       2.976100      0.5071000    
 O   -4.878800     -0.5208000       1.228000    
 N    3.143000       1.053300     -0.7074000    
 N   -3.808100      0.4982000     -0.6088000    
 C    1.709000     -0.7875000      0.1532000    
 C    2.246900     -0.2751000       1.508300    
 C    1.863500      -2.325800      0.1160000    
 C   0.2237000     -0.4400000     -5.0999999E-02
 C    2.244900       1.244700       1.567500    
 C    2.612000     -0.2130000     -0.9507000    
 C    3.033900       1.842700      0.4313000    
 C    3.303000      -2.736700      0.3444000    
 C  -0.1616000      0.3198000      -1.150500    
 C  -0.7219000     -0.8902000      0.8641000    
 C   -1.508100      0.6331000      -1.336700    
 C   -2.068400     -0.5770000      0.6778000    
 C   -2.461300      0.1847000     -0.4226000    
 C   -4.898800      0.1404000      0.1948000    
 C   -6.197000      0.6783000     -0.3527000    
 H    3.287100     -0.5821000       1.667800    
 H    1.671000     -0.6733000       2.351700    
 H    1.528400      -2.718700     -0.8533000    
 H    1.243400      -2.817600      0.8749000    
 H    2.700400       1.571300       2.509200    
 H    1.228100       1.649200       1.531800    
 H    3.693300       1.449600      -1.464600    
 H    4.033900      -2.199200     -0.2638000    
 H    3.591500      -2.650300       1.396500    
 H    3.410900      -3.799200      9.5399998E-02
 H   0.5391000      0.6913000      -1.889900    
 H  -0.4408000      -1.481700       1.730300    
 H   -1.800800       1.227400      -2.198800    
 H   -2.747500     -0.9587000       1.427400    
 H   -4.013700       1.056800      -1.434600    
 H   -6.164600       1.771300     -0.3730000    
 H   -7.028000      0.3588000      0.2823000    
 H   -6.358700      0.2983000      -1.365400    


%chk=000038050-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038050

0 1
O 2.831342 -0.385891 -2.046888
O 3.496607 3.097436 0.908385
O -4.823387 0.263725 1.453947
N 3.119356 1.290703 -0.491934
N -3.882702 0.295728 -0.697781
C 1.797616 -0.747523 0.182424
C 2.324901 -0.351140 1.590472
C 1.957317 -2.286214 -0.076111
C 0.294249 -0.399056 -0.018793
C 2.272167 1.170294 1.836162
C 2.614419 0.029478 -0.875288
C 3.006237 1.948742 0.756283
C 3.384468 -2.854364 0.079738
C -0.239418 -0.229169 -1.324172
C -0.612493 -0.348289 1.069932
C -1.612367 -0.000328 -1.523463
C -1.992911 -0.122550 0.889370
C -2.506054 0.058020 -0.421231
C -4.950107 0.387992 0.200247
C -6.306680 0.655313 -0.448771
H 3.371645 -0.693325 1.684672
H 1.755775 -0.884154 2.372175
H 1.601595 -2.486457 -1.102692
H 1.263702 -2.806707 0.612950
H 2.721290 1.447684 2.804840
H 1.224773 1.529097 1.852892
H 3.627278 1.804397 -1.223813
H 4.095927 -2.336804 -0.588115
H 3.758866 -2.784498 1.116870
H 3.390647 -3.924059 -0.197610
H 0.422806 -0.281273 -2.194940
H -0.255131 -0.493570 2.094852
H -1.993546 0.131378 -2.544719
H -2.675568 -0.086128 1.739938
H -4.113841 0.413852 -1.686649
H -6.721936 1.591054 -0.036322
H -7.000971 -0.157237 -0.173797
H -6.272671 0.736845 -1.549161


