%chk=000058897.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058897

0 1
 O    3.552400     -0.1562000      -1.178400    
 O  -0.8501000      -2.468900      -1.136500    
 N   0.9365000      0.2324000     -2.8400000E-02
 N  -0.8460000      -2.525000       1.156100    
 C    1.983500       1.244800     -1.4000000E-02
 C    3.383300      0.6258000      3.5999999E-03
 C  -0.4086000      0.5350000     -1.0100000E-02
 C   -1.403500     -0.4679000     -2.4300000E-02
 C    3.617600     -0.2891000       1.198800    
 C  -0.8361000       1.880100      2.4499999E-02
 C   -2.759300     -0.1405000     -4.9000001E-03
 C   -2.191900       2.207300      4.4100001E-02
 C   -3.153500       1.197100      2.9400000E-02
 C   -1.024500      -1.874900     -5.9900001E-02
 H    1.889500       1.868200     -0.9116000    
 H    1.877000       1.884600      0.8702000    
 H    4.139700       1.418400     -3.4000000E-03
 H    1.209800     -0.7371000     -0.1362000    
 H    4.647200     -0.6640000       1.186500    
 H    2.971800      -1.173000       1.173300    
 H    3.455600      0.2416000       2.141900    
 H  -0.1275000       2.704100      3.5300002E-02
 H   -3.518500     -0.9185000     -1.6400000E-02
 H   -2.499600       3.248600      7.0299998E-02
 H   -4.209100       1.452000      4.4399999E-02
 H    3.432100      0.4351000      -1.940900    
 H  -0.9764000      -2.052000       2.044600    
 H  -0.5756000      -3.502300       1.190700    


%chk=000058897-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058897

0 1
O 3.679247 -0.361325 -1.119949
O 0.382315 -2.269695 -0.019430
N 1.031394 0.286045 -0.076257
N -1.736950 -2.905774 0.601644
C 2.063496 1.308591 -0.211488
C 3.479552 0.696431 -0.107562
C -0.311795 0.563187 0.059204
C -1.284540 -0.503992 0.210919
C 3.770872 0.029780 1.241412
C -0.790760 1.916495 0.058715
C -2.661780 -0.165074 0.315736
C -2.156517 2.207090 0.184725
C -3.112423 1.166135 0.307887
C -0.826383 -1.920435 0.250271
H 1.970200 1.845814 -1.185588
H 1.961054 2.077320 0.583457
H 4.203877 1.523815 -0.278652
H 1.272091 -0.718152 -0.181715
H 4.795799 -0.377622 1.240799
H 3.069434 -0.801118 1.424919
H 3.679904 0.760398 2.065059
H -0.079059 2.738524 -0.058474
H -3.414441 -0.960404 0.377636
H -2.485874 3.252729 0.173864
H -4.180062 1.393300 0.383853
H 3.475672 0.000158 -2.020699
H -2.680647 -2.710074 0.923041
H -1.397879 -3.866447 0.605372


