%chk=000081256.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081256

0 1
 O   -1.937900      0.3602000      0.3936000    
 O   -1.904300     -0.4369000      -1.766800    
 N  -1.9999999E-04  -3.319300      0.7862000    
 C    3.109500       1.649800      0.2825000    
 C    1.709700       2.136700     -9.5500000E-02
 C    3.071200      0.2477000      0.8927000    
 C   0.9923000       1.147300      -1.014900    
 C    2.360300     -0.7513000     -2.1400001E-02
 C    1.001800     -0.2368000     -0.4207000    
 C  -0.1191000     -0.9503000     -0.2411000    
 C   -1.408800     -0.3309000     -0.6539000    
 C  -5.2400000E-02  -2.255300      0.3257000    
 C   -3.187400       1.010900      0.1389000    
 C   -3.634700       1.728300       1.394700    
 H    3.746500       1.641700     -0.6106000    
 H    3.563500       2.349100      0.9936000    
 H    1.783600       3.111500     -0.5909000    
 H    1.117800       2.285800      0.8167000    
 H    2.559000      0.2875000       1.862500    
 H    4.094400     -9.4499998E-02   1.085900    
 H    1.514500       1.109900      -1.979900    
 H  -4.1999999E-03   1.543400      -1.228300    
 H    2.346200      -1.721300      0.4829000    
 H    2.956100     -0.8921000     -0.9328000    
 H   -3.062900       1.733000     -0.6758000    
 H   -3.936100      0.2641000     -0.1478000    
 H   -4.588700       2.238300       1.235200    
 H   -3.745600       1.021200       2.223500    
 H   -2.886600       2.465700       1.704000    


%chk=000081256-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081256

0 1
O -2.476736 0.317936 0.592060
O -1.429896 1.672482 -0.981407
N -0.543055 -1.965389 2.039741
C 3.831091 1.288211 -0.230910
C 2.610245 2.112287 -0.695417
C 3.411748 0.190968 0.772740
C 1.483008 1.200611 -1.275321
C 2.283803 -0.713461 0.185833
C 1.108393 0.129585 -0.271832
C -0.163276 -0.061609 0.249556
C -1.367935 0.743101 -0.136269
C -0.384896 -1.099300 1.229392
C -3.764525 1.026353 0.312940
C -4.805424 0.419402 1.247084
H 4.310880 0.815081 -1.112402
H 4.587731 1.952873 0.228164
H 2.904747 2.844096 -1.470633
H 2.202249 2.690393 0.156940
H 3.047618 0.658667 1.708620
H 4.275551 -0.444627 1.043304
H 1.887100 0.693922 -2.177469
H 0.612752 1.797798 -1.580268
H 1.982072 -1.476673 0.922139
H 2.695256 -1.244207 -0.698154
H -3.609793 2.106489 0.487934
H -4.012068 0.882018 -0.754467
H -5.783638 0.906758 1.081898
H -4.917834 -0.662151 1.062014
H -4.517670 0.561787 2.302387


