%chk=000002257.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002257

3 1
 O   -5.667000       1.555600       1.372300    
 O    2.045400      -4.591700       1.891100    
 O   -4.351300     -0.4859000      -1.926400    
 O    1.192900      -3.547700      -1.977100    
 O    3.011200       4.346500      -1.098200    
 O    4.982500       2.878300     -0.3087000    
 O   -5.814800       1.199300      -1.335200    
 O    1.034300      -5.344500     -0.5359000    
 O    4.647300      0.6288000     -0.7744000    
 N   -5.239700     -0.7050000      -3.014600    
 N    1.259800      -4.533500      -2.999400    
 N    6.366600       2.583500     -0.4475000    
 C  -0.2196000      0.4012000      0.7161000    
 C   -1.665100      0.7048000      0.8838000    
 C   0.3801000     -0.9245000       1.021100    
 C   0.5869000       1.376600      0.2660000    
 C   -2.519500      0.4863000     -0.1765000    
 C   0.4431000      -1.873400      2.2299999E-02
 C    2.010400       1.126800      8.6900003E-02
 C   -2.104300       1.195200       2.095500    
 C   0.8543000      -1.161700       2.294100    
 C   4.2900000E-02   2.688100     -4.4700000E-02
 C   -3.875700      0.7716000     -1.7700000E-02
 C    1.006200      -3.116800      0.3099000    
 C    2.829300       2.090900     -0.3615000    
 C   -3.460600       1.480400       2.254300    
 C    1.417500      -2.405000       2.581600    
 C   -4.346200       1.268700       1.197700    
 C    1.493400      -3.382600       1.589400    
 C   0.8312000       3.672500     -0.4938000    
 C    2.289200       3.444300     -0.6862000    
 C   -4.783900      0.5448000      -1.133400    
 C    1.075100      -4.124300     -0.7396000    
 C    4.247800       1.752400     -0.5114000    
 H   -2.130100      0.1120000      -1.119900    
 H   4.4900000E-02  -1.650600     -0.9645000    
 H    2.439800      0.1594000      0.3200000    
 H   -1.423800       1.364400       2.925200    
 H   0.8007000     -0.4080000       3.074700    
 H   -1.007100       2.928600      6.9600001E-02
 H   -3.812900       1.867700       3.206600    
 H    1.792900      -2.598200       3.583000    
 H   0.4358000       4.654000     -0.7285000    
 H   -5.803100       1.889000       2.275800    
 H    2.325100      -4.589800       2.822600    
 H   -4.894200      -1.481000      -3.593000    
 H   -5.304200      0.1352000      -3.603600    
 H   -6.178100     -0.9482000      -2.672200    
 H    2.075800      -5.143300      -2.861000    
 H   0.4075000      -5.108400      -3.003800    
 H    1.347800      -4.076700      -3.915700    
 H    6.570100       2.232700      -1.392300    
 H    6.918600       3.436500     -0.2935000    
 H    6.658800       1.879900      0.2430000    


%chk=000002257-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002257

3 1
O -5.766576 -0.387331 0.446334
O 3.036687 -4.412883 2.273318
O -3.695652 2.056878 -2.424021
O -0.119759 -4.916616 -0.615542
O 2.430847 4.983296 -0.585628
O 4.497628 3.993241 -1.024889
O -5.772916 1.115785 -1.804860
O 1.585091 -5.974146 0.634332
O 4.777243 1.652418 -0.881852
N -4.610817 2.709196 -3.383466
N -0.236858 -6.318450 -1.066514
N 6.078003 3.817791 -1.385502
C -0.066040 0.060005 0.511108
C -1.539675 -0.090507 0.455849
C 0.743611 -1.110139 0.939421
C 0.560087 1.311155 0.237355
C -2.327646 0.569632 -0.522749
C 0.478567 -2.425059 0.482046
C 1.965533 1.382491 -0.118535
C -2.222584 -0.895542 1.429464
C 1.810390 -0.933079 1.886034
C -0.165890 2.580284 0.330860
C -3.746272 0.457783 -0.537622
C 1.263604 -3.533720 0.912445
C 2.578314 2.601615 -0.388091
C -3.615663 -1.007174 1.447979
C 2.576987 -2.007062 2.345065
C -4.404134 -0.334075 0.474704
C 2.326931 -3.321707 1.867375
C 0.436703 3.794338 0.091228
C 1.842933 3.875075 -0.311470
C -4.563982 1.127724 -1.538023
C 1.044049 -4.881856 0.415502
C 4.004348 2.633650 -0.774131
H -1.834935 1.154362 -1.305109
H -0.322200 -2.594368 -0.244521
H 2.548354 0.462719 -0.241734
H -1.644491 -1.399245 2.210722
H 1.997725 0.062927 2.300169
H -1.201145 2.564147 0.686169
H -4.107510 -1.596674 2.229995
H 3.362552 -1.839693 3.090431
H -0.096602 4.740407 0.224793
H -6.179415 -0.915494 1.178873
H 3.755543 -4.221571 2.931229
H -4.302393 2.458213 -4.342768
H -4.556756 3.734566 -3.225419
H -5.582357 2.321769 -3.159664
H 0.517118 -6.852273 -0.523712
H -1.192149 -6.652026 -0.834137
H -0.065292 -6.340755 -2.090550
H 6.263323 2.783199 -1.351269
H 6.162186 4.243126 -2.324380
H 6.559350 4.368856 -0.654244


