%chk=000017569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017569

0 1
 O    3.072400       1.518700      0.1756000    
 O    5.028400       2.210400     -0.8218000    
 O    6.003500      -4.000700      0.3051000    
 C   -3.638000       1.120000      0.4284000    
 C   -4.631500      0.1714000     -0.2513000    
 C   -2.234100       1.063300     -0.1785000    
 C   -6.078100      0.2435000      0.2505000    
 C   -1.238400       2.002700      0.5096000    
 C   -7.007800     -0.7680000     -0.4247000    
 C   0.1720000       1.929300     -8.0600001E-02
 C   -8.432100     -0.7549000      0.1400000    
 C    1.131700       2.865800      0.6612000    
 C   -9.356900      -1.782600     -0.5135000    
 C    2.538200       2.831000      7.5800002E-02
 C   -10.77430      -1.676000      2.8899999E-02
 C    4.332100       1.345600     -0.3133000    
 C    4.771800     -6.3299999E-02 -0.1513000    
 C    6.037000     -0.4536000     -0.5903000    
 C    3.920500     -0.9962000      0.4406000    
 C    6.450600      -1.776900     -0.4377000    
 C    4.334000      -2.319500      0.5933000    
 C    5.599100      -2.709900      0.1541000    
 H   -3.584500      0.8758000       1.496200    
 H   -4.018500       2.146300      0.3567000    
 H   -4.630000      0.3742000      -1.329900    
 H   -4.266900     -0.8568000     -0.1309000    
 H   -2.290100       1.317400      -1.244100    
 H   -1.858100      3.4600001E-02 -0.1174000    
 H   -6.084100      7.0100002E-02   1.333700    
 H   -6.465400       1.256900      9.0200000E-02
 H   -1.608800       3.032900      0.4371000    
 H   -1.195800       1.755800       1.577800    
 H   -6.588900      -1.775100     -0.3074000    
 H   -7.042500     -0.5630000      -1.501700    
 H   0.5348000      0.8963000     -2.1299999E-02
 H   0.1388000       2.200500      -1.142600    
 H   -8.854800      0.2491000      8.6000003E-03
 H   -8.392900     -0.9420000       1.220400    
 H    1.174200       2.563200       1.714600    
 H   0.7518000       3.893200      0.6257000    
 H   -8.973100      -2.793500     -0.3351000    
 H   -9.375100      -1.628200      -1.598600    
 H    2.512600       3.139600     -0.9760000    
 H    3.176900       3.526400      0.6327000    
 H   -11.19630     -0.6851000     -0.1670000    
 H   -11.41930      -2.420200     -0.4485000    
 H   -10.79480      -1.851400       1.109300    
 H    6.715200      0.2580000      -1.053600    
 H    2.927800     -0.7358000      0.7966000    
 H    7.438800      -2.068400     -0.7835000    
 H    3.666800      -3.042100       1.055400    
 H    6.903100      -4.092900     -5.2999999E-02


%chk=000017569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017569

0 1
O 3.102995 1.509729 0.199385
O 4.994123 2.184524 -0.986674
O 6.299378 -4.012285 0.501835
C -3.684341 1.057341 0.405439
C -4.696928 0.168581 -0.351364
C -2.279529 1.069903 -0.238221
C -6.100170 0.150275 0.295647
C -1.269652 1.965746 0.513670
C -7.113861 -0.734830 -0.464300
C 0.137920 1.963613 -0.122822
C -8.516478 -0.757166 0.184032
C 1.135628 2.875789 0.624811
C -9.530069 -1.640457 -0.579068
C 2.539763 2.881465 0.020003
C -10.928359 -1.658509 0.075756
C 4.366174 1.290927 -0.360918
C 4.851955 -0.094116 -0.125528
C 6.117148 -0.459271 -0.653499
C 4.098056 -1.053810 0.604024
C 6.625712 -1.756399 -0.461520
C 4.597007 -2.352186 0.802255
C 5.861186 -2.702484 0.268478
H -3.602853 0.706690 1.455772
H -4.074443 2.095769 0.454783
H -4.781870 0.522216 -1.400413
H -4.304959 -0.868865 -0.405067
H -2.361574 1.414046 -1.290546
H -1.886845 0.032405 -0.281478
H -6.015823 -0.206868 1.343577
H -6.491147 1.187964 0.352600
H -1.658284 3.005635 0.547928
H -1.195097 1.627655 1.568626
H -6.721564 -1.771900 -0.523949
H -7.200261 -0.375730 -1.511442
H 0.536133 0.930316 -0.141845
H 0.064025 2.291783 -1.180865
H -8.909790 0.279412 0.245647
H -8.432267 -1.119096 1.230376
H 1.201229 2.571499 1.687932
H 0.762610 3.920805 0.615373
H -9.135739 -2.675484 -0.641163
H -9.614086 -1.277560 -1.624002
H 2.531371 3.116812 -1.060617
H 3.213949 3.597472 0.524963
H -11.357121 -0.639434 0.121948
H -11.633422 -2.296442 -0.488603
H -10.875935 -2.046095 1.110875
H 6.686084 0.290807 -1.212303
H 3.124420 -0.767835 1.010770
H 7.605154 -2.031695 -0.873223
H 4.033124 -3.104458 1.360955
H 7.188323 -4.170305 0.096467


