%chk=000008042.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008042

0 1
 O    6.050400      0.3657000     -0.4460000    
 O    4.856900     -0.1223000       1.465900    
 C   -2.715400     -8.7800004E-02 -0.2451000    
 C   -1.628300      -1.108200      0.1000000    
 C   -4.099100     -0.5897000      0.1736000    
 C  -0.2403000     -0.5952000     -0.2880000    
 C   -5.223500      0.4074000     -0.1207000    
 C   0.8428000      -1.629700      2.7200000E-02
 C   -6.615200     -0.1232000      0.2300000    
 C    2.225500      -1.129000     -0.3916000    
 C   -7.703800      0.8828000     -0.1508000    
 C    3.368100      -2.103100     -7.8500003E-02
 C   -9.092800      0.3694000      0.2281000    
 C    4.756300      -1.592300     -0.4672000    
 C   -10.17410       1.380500     -0.1180000    
 C    5.195000     -0.3759000      0.3177000    
 C    6.580200       1.536700      0.1834000    
 C    7.976600       1.806700     -0.3558000    
 C    5.640700       2.707000     -6.4400002E-02
 H   -2.707600      0.1115000      -1.323300    
 H   -2.503700      0.8616000      0.2615000    
 H   -1.651300      -1.322600       1.175400    
 H   -1.832600      -2.050800     -0.4223000    
 H   -4.096100     -0.8150000       1.247300    
 H   -4.310500      -1.532300     -0.3466000    
 H  -2.8300000E-02  0.3366000      0.2502000    
 H  -0.2228000     -0.3613000      -1.359400    
 H   -5.036600       1.334800      0.4346000    
 H   -5.196500      0.6664000      -1.186600    
 H   0.6225000      -2.568800     -0.4944000    
 H   0.8418000      -1.848000       1.101800    
 H   -6.791200      -1.069400     -0.2957000    
 H   -6.663700     -0.3358000       1.304700    
 H    2.222700     -0.9230000      -1.469400    
 H    2.417600     -0.1719000      0.1081000    
 H   -7.665000       1.078100      -1.229400    
 H   -7.514600       1.836400      0.3573000    
 H    3.353900      -2.336500      0.9934000    
 H    3.183200      -3.045700     -0.6079000    
 H   -9.297300     -0.5716000     -0.2958000    
 H   -9.131500      0.1575000       1.303000    
 H    5.501700      -2.377600     -0.3001000    
 H    4.754800      -1.347700      -1.536000    
 H   -10.01660       2.322300      0.4173000    
 H   -10.18340       1.592600      -1.191900    
 H   -11.15890      0.9923000      0.1600000    
 H    6.681300       1.379500       1.264900    
 H    7.954700       1.953100      -1.441300    
 H    8.420400       2.692400      0.1090000    
 H    8.630100      0.9480000     -0.1679000    
 H    5.505100       2.877400      -1.138200    
 H    6.022700       3.626300      0.3900000    
 H    4.647100       2.504500      0.3489000    


%chk=000008042-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008042

0 1
O 6.299819 0.332846 -0.437457
O 4.919932 0.001802 1.416570
C -2.841704 -0.069578 -0.255061
C -1.691586 -1.035575 0.108417
C -4.233195 -0.583452 0.178339
C -0.299649 -0.524050 -0.326207
C -5.386645 0.372716 -0.200406
C 0.846382 -1.501194 0.019685
C -6.777237 -0.142401 0.234926
C 2.237574 -0.990998 -0.417323
C -7.933564 0.806396 -0.153514
C 3.371299 -1.986704 -0.083951
C -9.323219 0.289586 0.284397
C 4.764864 -1.509595 -0.543481
C -10.473851 1.240337 -0.111035
C 5.291718 -0.332132 0.266331
C 6.966612 1.499230 0.253041
C 8.359165 1.596487 -0.373564
C 6.101627 2.752217 0.054297
H -2.841048 0.103690 -1.351846
H -2.653087 0.918452 0.214922
H -1.691540 -1.209817 1.204861
H -1.881743 -2.023133 -0.362351
H -4.237599 -0.746184 1.276631
H -4.415963 -1.576936 -0.282688
H -0.102286 0.456516 0.155214
H -0.304123 -0.337331 -1.420821
H -5.204209 1.367203 0.258350
H -5.383267 0.533057 -1.299123
H 0.646893 -2.482553 -0.460647
H 0.853520 -1.685726 1.114087
H -6.955679 -1.140524 -0.217746
H -6.782883 -0.295647 1.334648
H 2.228421 -0.793969 -1.510289
H 2.444157 -0.023101 0.081161
H -7.930676 0.958132 -1.253484
H -7.756830 1.805539 0.297404
H 3.393954 -2.160392 1.008965
H 3.155730 -2.961666 -0.564810
H -9.497152 -0.709963 -0.164376
H -9.325808 0.140454 1.383660
H 5.505348 -2.328570 -0.437501
H 4.768553 -1.230438 -1.613104
H -10.340533 2.237171 0.350428
H -10.510864 1.382203 -1.207830
H -11.455454 0.847036 0.212079
H 7.022972 1.247585 1.328834
H 8.285939 1.797406 -1.456872
H 8.927027 2.419756 0.096723
H 8.921227 0.657815 -0.230469
H 5.976437 2.969970 -1.021326
H 6.585846 3.624043 0.531671
H 5.107780 2.617087 0.512641


