%chk=000085526.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085526

0 1
 O   -4.960800      5.3399999E-02   1.343400    
 O   -4.641900     -6.4599998E-02 -0.9024000    
 O    4.358200       1.095300      0.3324000    
 O    4.350500      -1.099700      0.3691000    
 N    3.755300     -1.9000000E-03  0.2458000    
 C   -1.860900      1.6000000E-03 -0.7333000    
 C  -0.3917000      8.9999998E-04 -0.4780000    
 C   -2.709100      2.6400000E-02  0.5438000    
 C   0.2996000       1.208200     -0.3785000    
 C   0.2910000      -1.207500     -0.3380000    
 C    2.356700     -1.0000000E-03  8.9999998E-04
 C    1.673800       1.207200     -0.1392000    
 C    1.665200      -1.208500     -9.8499998E-02
 C   -4.185900     -9.8000001E-03  0.2326000    
 H   -2.121600      0.8612000      -1.365900    
 H   -2.124400     -0.8787000      -1.335600    
 H   -2.472000     -0.8410000       1.170200    
 H   -2.500000      0.9387000       1.113800    
 H  -0.2217000       2.156000     -0.4836000    
 H  -0.2371000      -2.154600     -0.4113000    
 H    2.179500       2.166800     -6.7100003E-02
 H    2.163900      -2.168700      5.9000002E-03
 H   -5.916900      4.1700002E-02   1.124200    


%chk=000085526-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085526

0 1
O -4.919926 0.056990 1.452828
O -4.789041 -0.036555 -0.864665
O 4.398628 1.145091 0.426509
O 4.393683 -1.135683 0.468759
N 3.801800 0.003715 0.324481
C -1.903461 -0.005380 -0.825153
C -0.409405 -0.003580 -0.550996
C -2.716479 0.018320 0.493400
C 0.303207 1.219096 -0.425816
C 0.298222 -1.223848 -0.381250
C 2.349824 0.001309 0.025203
C 1.681492 1.234264 -0.138790
C 1.676409 -1.234078 -0.093585
C -4.213052 0.008524 0.243911
H -2.188588 0.870304 -1.435003
H -2.192765 -0.899559 -1.405371
H -2.466898 -0.851143 1.131107
H -2.471485 0.911424 1.098945
H -0.227667 2.167980 -0.564558
H -0.236444 -2.175031 -0.485429
H 2.244282 2.166568 -0.044537
H 2.235403 -2.164568 0.034915
H -5.898039 0.047242 1.265796


