%chk=000029217.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029217

0 1
 O    2.331800      0.1422000      0.4833000    
 O   -2.237800      0.2415000     -0.3670000    
 O    3.518300      -1.619400     -0.4048000    
 O   -3.571700      -1.626600     -0.1953000    
 C    3.498400      0.9399000      0.4987000    
 C   -3.382400       1.056700     -0.5168000    
 C    4.034100       1.185500     -0.9028000    
 C    3.191700       2.345600      0.9880000    
 C   -4.266100       1.023600      0.7200000    
 C   -2.998800       2.524200     -0.6115000    
 C    4.890900       2.437600     -0.7597000    
 C    4.357800       3.177800      0.4698000    
 C   -5.091100       2.301200      0.6223000    
 C   -4.280800       3.263400     -0.2501000    
 C    2.479900      -1.123800      4.9000001E-03
 C   -2.450700      -1.101100     -0.2113000    
 C    1.187600      -1.854000      4.0300000E-02
 C   -1.199500      -1.827800     -6.6500001E-02
 C   1.4200000E-02  -1.141100     -9.8800004E-02
 C    1.200600      -3.223400      0.2100000    
 C   -1.213300      -3.212100      0.1044000    
 C  -1.3300000E-02  -3.909900      0.2425000    
 H    4.261000      0.4813000       1.141900    
 H   -3.941700      0.7601000      -1.413900    
 H    3.212200       1.361100      -1.608400    
 H    4.625100      0.3551000      -1.298900    
 H    3.095100       2.393300       2.077200    
 H    2.243900       2.703700      0.5671000    
 H   -3.657600       1.028000       1.633200    
 H   -4.916400      0.1461000      0.7722000    
 H   -2.627400       2.791800      -1.605700    
 H   -2.200500       2.762400      0.1026000    
 H    4.841000       3.057900      -1.660300    
 H    5.941900       2.168500     -0.6034000    
 H    5.144500       3.247200       1.230000    
 H    4.044100       4.198100      0.2275000    
 H   -5.290800       2.721500       1.613200    
 H   -6.059100       2.098600      0.1499000    
 H   -4.847800       3.508900      -1.155500    
 H   -4.067400       4.203300      0.2689000    
 H   4.6399999E-02 -6.6100001E-02 -0.2477000    
 H    2.128000      -3.777200      0.3218000    
 H   -2.147700      -3.766500      0.1327000    
 H  -2.4100000E-02  -4.987800      0.3762000    


%chk=000029217-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029217

0 1
O 2.335321 0.217273 0.583952
O -2.348166 0.233884 -0.545110
O 3.540405 -1.758516 0.898956
O -3.555748 -1.732121 -0.908997
C 3.576961 1.018571 0.893233
C -3.590585 1.044159 -0.828176
C 4.437100 1.150374 -0.381909
C 3.091647 2.451530 1.227704
C -4.439080 1.151758 0.457154
C -3.104762 2.482462 -1.138462
C 3.781924 2.325986 -1.145477
C 3.439919 3.336256 -0.015226
C -3.777984 2.313690 1.236238
C -3.448696 3.344719 0.121259
C 2.464786 -1.170249 0.617115
C -2.478852 -1.152217 -0.614987
C 1.180425 -1.862400 0.287562
C -1.194050 -1.853709 -0.307681
C -0.006775 -1.147728 0.000165
C 1.177997 -3.281736 0.267430
C -1.191497 -3.273016 -0.329598
C -0.006668 -3.982515 -0.041739
H 4.097535 0.499291 1.715292
H -4.119397 0.542124 -1.655600
H 4.493278 0.205721 -0.947320
H 5.468545 1.420082 -0.079306
H 3.580944 2.824558 2.144648
H 2.005879 2.425038 1.423096
H -4.488918 0.196597 1.005295
H -5.473600 1.425887 0.169424
H -3.595226 2.872825 -2.047521
H -2.019380 2.458101 -1.336387
H 2.856578 1.978177 -1.641744
H 4.441044 2.756585 -1.919443
H 4.322778 3.966984 0.201726
H 2.612354 4.013048 -0.290160
H -2.847233 1.958104 1.716705
H -4.429889 2.729045 2.024511
H -4.336592 3.973944 -0.078987
H -2.622808 4.021336 0.401623
H -0.006796 -0.056213 0.016057
H 2.110606 -3.808466 0.495495
H -2.124246 -3.792802 -0.572527
H -0.006579 -5.077121 -0.058079


