%chk=000031232.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031232

0 1
 O   -2.034600      0.3925000     -0.3053000    
 O   -3.804700      0.1878000       1.165900    
 N   0.9110000      0.3992000      -1.251100    
 C  -0.4575000       2.221700     -0.4336000    
 C   0.7532000       1.330800     -0.2945000    
 C    2.913600     -0.2954000     -8.8100001E-02
 C    4.086800      -1.206200     -1.1100000E-02
 C    1.597800       1.523100      0.7763000    
 C   -1.681000       1.651900      0.2758000    
 C    2.703200      0.6853000      0.8751000    
 C    1.996400     -0.3964000      -1.121800    
 C    3.788900      -2.477900      0.7819000    
 C   -3.117200     -0.2212000      0.2437000    
 C   -3.324100      -1.493900     -0.4781000    
 C   -4.331800      -2.301300     -0.1352000    
 H  -0.6773000       2.333100      -1.503000    
 H  -0.2330000       3.224600     -5.1399998E-02
 H    4.415900      -1.477900      -1.022000    
 H    4.936200     -0.6839000      0.4467000    
 H    1.421400       2.289900       1.522000    
 H   -2.521000       2.347100      0.1621000    
 H   -1.474600       1.512700       1.344000    
 H    3.391900      0.8046000       1.707000    
 H    2.105100      -1.142800      -1.902700    
 H    3.499900      -2.243000       1.811800    
 H    4.675400      -3.119000      0.8144000    
 H    2.972800      -3.047300      0.3242000    
 H   -2.649700      -1.760400      -1.284200    
 H   -4.482900      -3.235800     -0.6654000    
 H   -5.022800      -2.063600      0.6660000    


%chk=000031232-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031232

0 1
O -2.123397 0.456564 -0.400498
O -3.698600 0.361180 1.325175
N 1.366119 0.785421 -1.525557
C -0.468657 2.211272 -0.720999
C 0.753885 1.349774 -0.439332
C 3.033077 -0.253664 -0.039930
C 4.237100 -1.165971 0.121537
C 1.253230 1.155518 0.875155
C -1.721719 1.812703 0.065028
C 2.392258 0.349854 1.073110
C 2.471614 0.013469 -1.313555
C 3.841913 -2.590459 0.595867
C -3.140857 -0.167967 0.331085
C -3.430062 -1.504886 -0.250083
C -4.388073 -2.308970 0.279119
H -0.672035 2.161522 -1.803858
H -0.248509 3.269772 -0.472327
H 4.776983 -1.241564 -0.841553
H 4.945959 -0.726873 0.850477
H 0.757049 1.632145 1.728000
H -2.558744 2.508414 -0.129049
H -1.556084 1.776215 1.157200
H 2.788018 0.194045 2.084211
H 2.930640 -0.412110 -2.215776
H 3.320760 -2.554002 1.569760
H 4.737051 -3.228788 0.709150
H 3.163047 -3.072723 -0.130101
H -2.830852 -1.795740 -1.119011
H -4.606377 -3.294889 -0.144071
H -4.967438 -1.980960 1.150225


