%chk=000112098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112098

0 1
 O  -0.2812000       2.168300       1.137300    
 O   -2.042700      0.2607000     -8.3899997E-02
 O   -2.342300      -1.927500     -0.7614000    
 C    2.179000      0.5012000      0.4765000    
 C    2.330600     -0.8966000     -7.6300003E-02
 C    1.398300     -0.6421000       1.074100    
 C    1.506000       1.549900     -0.3634000    
 C  -8.5199997E-02 -0.7104000      0.9091000    
 C  -1.8300001E-02   1.605800     -0.1534000    
 C  -0.6228000      0.1884000     -0.2080000    
 C    1.696900      -1.158300      -1.404100    
 C    3.585700      -1.676700      0.1100000    
 C  -0.6577000       2.531600      -1.194600    
 C   -2.697900     -0.9339000     -0.1422000    
 C   -3.948600     -0.8606000      0.6803000    
 H    3.002400      0.9048000       1.054500    
 H    1.702900      -1.002800       2.050500    
 H    1.924100       2.514100     -3.9299998E-02
 H    1.787700       1.485900      -1.418000    
 H  -0.3681000      -1.757800      0.7573000    
 H  -0.5530000     -0.4250000       1.861000    
 H  -0.4644000     -0.2217000      -1.203400    
 H    2.436900      -1.629900      -2.067000    
 H   0.8996000      -1.906200      -1.326800    
 H    1.359000     -0.3125000      -1.997900    
 H    4.021500      -1.504500       1.100300    
 H    3.395000      -2.751000      1.5799999E-02
 H    4.337800      -1.391000     -0.6331000    
 H  -0.5450000       2.134300      -2.208500    
 H   -1.724300       2.680500     -0.9934000    
 H  -0.1998000       3.527200      -1.162600    
 H   8.8900000E-02   3.067300       1.157000    
 H   -4.607300     -8.3300002E-02  0.2851000    
 H   -3.694200     -0.6568000       1.723400    
 H   -4.472100      -1.819700      0.6303000    


%chk=000112098-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112098

0 1
O -0.078606 1.994349 1.353700
O -2.057353 0.000118 0.563421
O -2.810343 -0.686368 -1.545273
C 2.273831 0.513142 0.212618
C 2.588069 -0.966033 -0.139362
C 1.677100 -0.630859 1.061071
C 1.326009 1.388226 -0.612701
C 0.159156 -0.834077 1.105378
C -0.116830 1.458242 -0.027735
C -0.635886 0.010512 0.091729
C 2.039436 -1.615507 -1.407238
C 3.998594 -1.449963 0.204412
C -1.034223 2.332371 -0.903362
C -3.042794 -0.385547 -0.350735
C -4.398131 -0.395947 0.323797
H 3.103004 1.061312 0.675330
H 2.146985 -0.783314 2.040998
H 1.723782 2.421619 -0.657932
H 1.263672 1.041009 -1.663435
H -0.105170 -1.901496 0.970045
H -0.192823 -0.528565 2.106351
H -0.636964 -0.430760 -0.921231
H 2.708258 -1.413225 -2.266345
H 1.983420 -2.714047 -1.282836
H 1.030873 -1.268365 -1.685096
H 4.382284 -0.965518 1.121538
H 4.011595 -2.544506 0.372319
H 4.707204 -1.225155 -0.616506
H -1.196352 1.879586 -1.898049
H -2.014313 2.456564 -0.413019
H -0.589236 3.335240 -1.051155
H 0.301053 2.908921 1.316034
H -4.567136 0.553326 0.859097
H -4.434237 -1.205341 1.074531
H -5.186526 -0.558243 -0.425157


