%chk=000021692.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021692

0 1
 O   -4.595400     -0.5960000       1.365400    
 O   -4.313600      -2.033500     -0.3843000    
 N   -1.639600       2.047400      9.1000004E-03
 N    4.134100      0.5232000      0.5415000    
 C  -0.3638000       1.317100      0.1558000    
 C  -0.3371000     -4.5899998E-02 -0.6657000    
 C   0.8996000       2.215400     -8.7700002E-02
 C   0.9533000     -0.7933000     -0.3559000    
 C    2.130000       1.397300      0.1313000    
 C    2.068500     -8.1000002E-03 -1.5000000E-02
 C   -1.613500     -0.8200000     -0.4358000    
 C   -2.748200       1.209000      0.5117000    
 C   -2.695100     -0.2381000      0.1050000    
 C    3.316800     -0.5445000      0.2383000    
 C    3.424700       1.705300      0.4757000    
 C    1.184400      -2.170400     -0.4708000    
 C   -1.906400       2.526200      -1.346700    
 C    3.546600      -1.917200      0.1568000    
 C    2.451600      -2.716400     -0.2090000    
 C   -3.897000      -1.057400      0.2803000    
 H  -0.2996000       1.043900       1.223800    
 H  -0.2918000      0.1869000      -1.739000    
 H   0.8874000       3.071900      0.5963000    
 H   0.9176000       2.597800      -1.114000    
 H   -1.656500      -1.857700     -0.7534000    
 H   -3.707600       1.654000      0.2177000    
 H   -2.722900       1.258000       1.608600    
 H    3.913000       2.647000      0.6834000    
 H   0.3871000      -2.844100     -0.7715000    
 H   -1.124100       3.209800      -1.689300    
 H   -2.835400       3.108100      -1.364000    
 H   -2.006800       1.719400      -2.079700    
 H    5.115000      0.4531000      0.7741000    
 H    4.521400      -2.349100      0.3521000    
 H    2.591900      -3.791500     -0.2999000    
 H   -5.411400      -1.118600       1.519400    


%chk=000021692-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021692

0 1
O -4.930305 -0.417761 1.009258
O -4.029036 -2.314949 0.015548
N -1.636116 2.031503 0.025017
N 4.213733 0.523130 0.499687
C -0.343047 1.319745 0.184649
C -0.314758 -0.023243 -0.652866
C 0.887041 2.230872 -0.089953
C 0.972085 -0.812377 -0.384770
C 2.144878 1.417208 0.111369
C 2.089596 -0.013705 -0.049049
C -1.590592 -0.798170 -0.416509
C -2.743908 1.223517 0.587105
C -2.709084 -0.241710 0.139388
C 3.382568 -0.564071 0.198543
C 3.460311 1.720549 0.452916
C 1.179239 -2.202993 -0.458129
C -1.928715 2.550365 -1.329360
C 3.596130 -1.960409 0.114802
C 2.475829 -2.757034 -0.211789
C -3.891461 -1.111829 0.351761
H -0.286989 1.019281 1.251388
H -0.291826 0.270620 -1.730106
H 0.833698 3.106677 0.581976
H 0.846322 2.618443 -1.128365
H -1.629598 -1.857670 -0.702582
H -3.707803 1.682965 0.308691
H -2.696069 1.259511 1.694340
H 3.930012 2.678217 0.670420
H 0.358116 -2.885060 -0.703850
H -1.129156 3.237385 -1.652989
H -2.867163 3.131339 -1.291006
H -2.050278 1.763365 -2.112278
H 5.202241 0.467489 0.733292
H 4.574691 -2.418198 0.295578
H 2.603075 -3.843491 -0.280371
H -5.696463 -1.040507 1.132843


