%chk=000085083.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085083

0 1
 O   -1.641600     -0.5983000     -0.1423000    
 O    3.097500       2.003400      0.3066000    
 O  -0.7063000       1.333700      0.6640000    
 O    2.166100      0.9980000      -1.514900    
 N   0.6203000     -0.4944000      0.1624000    
 C    1.873100      3.4000002E-02  0.6825000    
 C    2.791300      -1.179400      0.7758000    
 C    2.277600      -2.101400     -0.3290000    
 C   0.7754000      -1.865200     -0.3121000    
 C  -0.5885000      0.1782000      0.2624000    
 C   -2.934200      1.4600000E-02 -7.5800002E-02
 C    2.374100       1.037900     -0.3113000    
 C   -2.932200       1.252200     -0.9719000    
 C   -3.954100      -1.007500     -0.5732000    
 C   -3.218500      0.3942000       1.376800    
 H    1.694200      0.5194000       1.647700    
 H    2.658300      -1.670900       1.747200    
 H    3.851900     -0.9395000      0.6543000    
 H    2.696400      -1.795200      -1.294900    
 H    2.539900      -3.150100     -0.1641000    
 H   0.3108000      -1.986900      -1.295000    
 H   0.2733000      -2.526700      0.4025000    
 H   -2.448900       1.040500      -1.932900    
 H   -3.959500       1.576000      -1.177900    
 H   -2.431800       2.124400     -0.5440000    
 H   -3.922800      -1.916400      3.8699999E-02
 H   -3.724300      -1.317300      -1.599100    
 H   -4.974100     -0.6103000     -0.5515000    
 H   -2.693500       1.286500       1.726300    
 H   -4.285400      0.6072000       1.514200    
 H   -2.950000     -0.4241000       2.055000    
 H    3.436200       2.670200     -0.3282000    


%chk=000085083-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085083

0 1
O -1.621752 -0.542320 -0.042610
O 3.325214 1.953556 0.254491
O -0.561403 1.402082 0.827839
O 2.116825 1.121645 -1.549472
N 0.627573 -0.532128 0.302796
C 1.916449 0.051205 0.696766
C 2.855265 -1.192518 0.741114
C 2.269861 -2.118459 -0.358033
C 0.739159 -1.907139 -0.246468
C -0.527988 0.214723 0.394024
C -3.015465 0.073870 -0.053227
C 2.411398 1.072830 -0.338047
C -3.029280 1.299086 -0.989026
C -3.864655 -1.077452 -0.619737
C -3.429293 0.425123 1.389944
H 1.846407 0.568370 1.667379
H 2.768349 -1.663449 1.736736
H 3.912063 -0.926769 0.576396
H 2.621519 -1.793898 -1.353033
H 2.554841 -3.174237 -0.216681
H 0.223128 -1.978007 -1.218101
H 0.267524 -2.633192 0.443228
H -2.660229 1.021775 -1.992404
H -4.065392 1.671032 -1.091568
H -2.398858 2.107766 -0.587818
H -3.794237 -1.967984 0.028567
H -3.519709 -1.352738 -1.631371
H -4.923464 -0.768040 -0.680492
H -2.786135 1.220403 1.798291
H -4.477904 0.775514 1.397354
H -3.358438 -0.465847 2.039233
H 3.649328 2.601997 -0.427770


