%chk=000023876.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023876

0 1
 O  -0.4374000      -2.318100       1.391400    
 O  -0.3793000       2.255500       1.457400    
 O   -3.198000      4.5299999E-02  -1.514400    
 N   -1.772700      -1.187300     -0.1547000    
 N   -1.751900       1.200300     -0.1101000    
 C    1.223500     -2.7899999E-02 -1.6300000E-02
 C    2.043400       1.262700      0.1152000    
 C    2.111400      -1.262600      0.1888000    
 C   5.9099998E-02 -3.0400001E-02  0.9726000    
 C    3.245100       1.265500     -0.8267000    
 C    3.313200      -1.255500     -0.7532000    
 C    4.120600      3.2499999E-02 -0.6260000    
 C  -0.7424000      -1.289900      0.7854000    
 C  -0.7139000       1.252100      0.8258000    
 C   -2.296100      2.0900000E-02 -0.6696000    
 C   -2.432500      -2.418500     -0.5761000    
 C   -2.392100       2.455400     -0.4896000    
 H   0.8285000     -6.7699999E-02  -1.042100    
 H    2.391700       1.388200       1.148200    
 H    1.448800       2.144800     -0.1428000    
 H    1.560700      -2.187700     -7.7999998E-03
 H    2.464600      -1.306600       1.226900    
 H   0.4327000     -4.8900001E-02   2.006100    
 H    3.840900       2.170500     -0.6621000    
 H    2.894900       1.298500      -1.865900    
 H    2.966800      -1.368100      -1.788000    
 H    3.956500      -2.116000     -0.5368000    
 H    4.933100      3.2900002E-02  -1.361300    
 H    4.587000      7.4000001E-02  0.3661000    
 H   -3.426100      -2.450200     -0.1179000    
 H   -1.868400      -3.306800     -0.2806000    
 H   -2.552400      -2.415500      -1.664000    
 H   -2.474200       2.506000      -1.580000    
 H   -1.835400       3.325100     -0.1319000    
 H   -3.401100       2.470300     -6.5499999E-02


%chk=000023876-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023876

0 1
O -0.534146 -2.331049 1.505307
O -0.541193 2.335793 1.510632
O -3.134351 0.001555 -1.592079
N -1.776808 -1.207074 -0.124186
N -1.783973 1.210333 -0.117709
C 1.252049 0.008566 0.005727
C 2.132221 1.275335 0.178251
C 2.122653 -1.267755 0.152550
C 0.045031 0.003743 1.043901
C 3.311711 1.280384 -0.823769
C 3.302907 -1.261053 -0.848568
C 4.175270 0.005315 -0.695088
C -0.773461 -1.267701 0.874819
C -0.778162 1.272675 0.878777
C -2.261012 0.001703 -0.684842
C -2.456501 -2.451458 -0.557200
C -2.471246 2.452871 -0.544062
H 0.815416 0.020342 -1.017105
H 2.527694 1.297402 1.214626
H 1.532663 2.194851 0.054472
H 1.516763 -2.180108 0.007981
H 2.516382 -1.315214 1.188603
H 0.476316 0.002629 2.058863
H 3.928758 2.184356 -0.658492
H 2.914406 1.350347 -1.857865
H 2.905926 -1.308357 -1.884118
H 3.913720 -2.172229 -0.700505
H 4.983841 0.009874 -1.451016
H 4.664143 -0.006014 0.300907
H -3.530021 -2.409187 -0.311228
H -1.981453 -3.286879 -0.023017
H -2.352890 -2.572985 -1.647107
H -2.362720 2.585022 -1.632286
H -2.005684 3.287430 -0.000253
H -3.545650 2.399337 -0.304419


