%chk=000022092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022092

0 1
 O    2.383400       2.175000      -1.318500    
 O    3.864100       2.364500      0.4129000    
 C   0.6647000      -1.335100      9.8099999E-02
 C    1.280600      9.6699998E-02  0.2705000    
 C  -0.9171000      -1.217400      0.1045000    
 C    2.818300      0.2367000      5.1000002E-03
 C    1.186200      -1.970700      -1.214900    
 C   -1.437700     -0.2566000       1.163300    
 C   0.8237000      0.7352000       1.602400    
 C   -1.580100     -0.8225000      -1.232800    
 C    3.229200     -0.5187000      -1.278000    
 C    2.707300      -1.948600      -1.336800    
 C    1.031300      -2.290500       1.270200    
 C   -3.650200      9.6100003E-02  1.9600000E-02
 C   -2.936200     -0.2694000       1.343600    
 C   -3.116400     -0.7987000      -1.124900    
 C  -0.6496000      0.5944000       1.840200    
 C    3.740000     -0.1602000       1.168800    
 C    3.089400       1.704100     -0.2625000    
 C   -5.162700     -0.1262000      0.1787000    
 C   -3.435100       1.554900     -0.3120000    
 C   -3.933100       2.157000      -1.397300    
 H   0.7841000      0.6887000     -0.5133000    
 H   -1.307800      -2.215800      0.3527000    
 H   0.7974000      -1.424600      -2.081900    
 H   0.8265000      -3.002900      -1.306800    
 H    1.063700       1.805100       1.591000    
 H    1.347400      0.3016000       2.460300    
 H   -1.330600      -1.552700      -2.010300    
 H   -1.216000      0.1526000      -1.577000    
 H    4.322600     -0.5301000      -1.378100    
 H    2.864500     -2.4000001E-03  -2.175600    
 H    2.994500      -2.393900      -2.297100    
 H    3.177400      -2.563900     -0.5638000    
 H   0.5580000      -3.269800       1.125900    
 H    2.099400      -2.483900       1.350000    
 H   0.6927000      -1.919200       2.241700    
 H   -3.234600      -1.274500       1.670600    
 H   -3.245500      0.4145000       2.145300    
 H   -3.537300     -0.5111000      -2.096200    
 H   -3.454400      -1.830600     -0.9532000    
 H   -1.084400       1.256700       2.584200    
 H    3.528400      0.4054000       2.082300    
 H    3.678500      -1.220500       1.412500    
 H    4.792500      3.1900000E-02  0.9223000    
 H   -5.588000      0.5366000      0.9420000    
 H   -5.710600      4.1900001E-02 -0.7555000    
 H   -5.374100      -1.156500      0.4890000    
 H   -2.862200       2.168500      0.3790000    
 H    2.563500       3.124500      -1.485800    
 H   -3.748000       3.212700      -1.566100    
 H   -4.527700       1.630900      -2.134900    


%chk=000022092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022092

0 1
O 2.443578 2.211130 -1.385576
O 3.905336 2.470089 0.383164
C 0.690890 -1.355898 0.135204
C 1.295655 0.092423 0.238008
C -0.884306 -1.220941 0.067988
C 2.860901 0.228215 -0.002235
C 1.233756 -2.059995 -1.142269
C -1.439150 -0.228655 1.089299
C 0.838950 0.788856 1.542979
C -1.519567 -0.876202 -1.314806
C 3.269893 -0.576031 -1.285744
C 2.773052 -2.036643 -1.238691
C 0.991466 -2.240916 1.380747
C -3.671852 0.069515 -0.131332
C -2.949466 -0.253666 1.232521
C -3.066933 -0.872460 -1.228928
C -0.657038 0.671039 1.745105
C 3.762851 -0.189235 1.188386
C 3.145828 1.717159 -0.267334
C -5.181925 -0.223896 0.009131
C -3.397110 1.525002 -0.499203
C -4.311007 2.474271 -0.822192
H 0.837886 0.654274 -0.602071
H -1.287105 -2.226524 0.334845
H 0.845340 -1.545136 -2.042230
H 0.853471 -3.101069 -1.177523
H 1.122892 1.861024 1.519769
H 1.368123 0.363048 2.420545
H -1.226683 -1.628216 -2.070695
H -1.148654 0.103911 -1.673726
H 4.371739 -0.541221 -1.394464
H 2.835664 -0.082828 -2.175758
H 3.096014 -2.556120 -2.161816
H 3.234788 -2.585390 -0.395752
H 0.567083 -3.251489 1.225852
H 2.067912 -2.363946 1.578272
H 0.525318 -1.824203 2.290800
H -3.281445 -1.265446 1.550459
H -3.284865 0.464711 2.004254
H -3.494945 -0.599579 -2.213182
H -3.404975 -1.907492 -1.007080
H -1.124263 1.365720 2.458395
H 3.495193 0.338981 2.117613
H 3.709902 -1.272665 1.373307
H 4.812862 0.069356 0.966018
H -5.645857 0.416004 0.782271
H -5.717701 -0.053510 -0.943293
H -5.341785 -1.279089 0.299459
H -2.334546 1.810804 -0.483775
H 2.673510 3.172353 -1.503181
H -4.000337 3.495491 -1.072608
H -5.388436 2.274288 -0.845523


