%chk=000113558.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113558

0 1
 O    2.713000     -0.7122000     -0.3356000    
 O    1.071800      0.9609000     -0.2092000    
 O    5.742700       2.047700      0.2482000    
 O    6.246800     -0.7656000      0.6680000    
 O    3.460100       1.823600      -1.338500    
 O    3.098800      -3.433500     -0.2872000    
 C    4.728400       1.108400      0.5930000    
 C    5.089400     -0.2593000      7.8999996E-03
 C    3.373100       1.583500      6.9600001E-02
 C    3.929400      -1.246500      0.1974000    
 C    2.318400      0.5029000      0.3057000    
 C    4.198600      -2.570200     -0.5113000    
 C  -1.9900000E-02  0.2506000      0.3574000    
 C   -1.331900      0.7656000     -0.2217000    
 C   -2.547900      4.6900000E-02  0.3702000    
 C   -3.854000      0.5988000     -0.2065000    
 C   -5.066800     -0.1396000      0.3635000    
 C   -6.402100      0.3515000     -0.2041000    
 C   -7.652500     -0.3661000      0.3133000    
 C   -8.948300      0.1284000     -0.3297000    
 C   -10.14720     -0.6758000      0.1495000    
 H    4.708100       1.047900       1.688200    
 H    5.345800     -0.1549000      -1.052800    
 H    3.083200       2.534700      0.5277000    
 H    3.770000      -1.460800       1.263100    
 H    2.224300      0.3281000       1.386500    
 H    4.291100      -2.421300      -1.592300    
 H    5.105600      -3.051200     -0.1330000    
 H   8.5199997E-02 -0.8193000      0.1422000    
 H  -2.2000000E-02  0.3904000       1.445000    
 H   -1.316500      0.6471000      -1.312400    
 H   -1.406300       1.845000     -3.9400000E-02
 H   -2.549500      0.1643000       1.460600    
 H   -2.475000      -1.027000      0.1595000    
 H   -3.936100       1.668700      1.9700000E-02
 H   -3.845400      0.4982000      -1.298500    
 H    5.483700       2.907500      0.6214000    
 H    6.034000     -0.8691000       1.611100    
 H    3.524700      0.9664000      -1.792100    
 H   -4.968100      -1.212400      0.1567000    
 H   -5.081100     -2.8000001E-02   1.454700    
 H   -6.371300      0.2543000      -1.296900    
 H   -6.501100       1.423900      7.0000002E-03
 H   -7.543100      -1.441500      0.1249000    
 H   -7.713600     -0.2410000       1.401400    
 H    3.289200      -4.267100     -0.7502000    
 H   -9.099900       1.187300     -9.1300003E-02
 H   -8.876300      4.7800001E-02  -1.420500    
 H   -11.06400     -0.3045000     -0.3190000    
 H   -10.03870      -1.734200     -0.1083000    
 H   -10.26390     -0.5963000       1.235000    


%chk=000113558-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113558

0 1
O 2.642289 -0.759824 0.039733
O 1.135239 1.010308 0.356137
O 5.818193 2.017490 -0.167267
O 6.362050 -0.833161 -0.073662
O 3.237548 2.040972 -1.015404
O 3.366137 -3.616148 0.565980
C 4.877774 1.058897 0.430491
C 5.011379 -0.305501 -0.280029
C 3.438365 1.596772 0.368272
C 3.994194 -1.305347 0.306792
C 2.415997 0.503569 0.755501
C 4.077950 -2.685414 -0.325191
C -0.011989 0.135894 0.718943
C -1.279297 0.779715 0.156320
C -2.546900 -0.030701 0.514840
C -3.837410 0.584115 -0.071865
C -5.109522 -0.215412 0.288593
C -6.401711 0.390944 -0.303514
C -7.674056 -0.407716 0.059051
C -8.966684 0.195188 -0.536825
C -10.232362 -0.609473 -0.169705
H 5.205299 0.944787 1.480415
H 4.798512 -0.161830 -1.360821
H 3.313854 2.455956 1.058638
H 4.159639 -1.407732 1.402319
H 2.459220 0.300978 1.853702
H 3.609640 -2.652803 -1.331061
H 5.148276 -2.955662 -0.419424
H 0.160942 -0.870839 0.297305
H -0.057510 0.059802 1.826598
H -1.183538 0.858492 -0.944139
H -1.368546 1.811731 0.548034
H -2.644324 -0.099004 1.618522
H -2.438716 -1.071910 0.146034
H -3.944685 1.627807 0.290577
H -3.743929 0.646394 -1.176154
H 5.361421 2.388363 -0.970884
H 6.988356 -0.080964 -0.247034
H 2.260484 2.016583 -1.194059
H -4.998927 -1.260752 -0.068728
H -5.205203 -0.273717 1.393210
H -6.307382 0.447015 -1.408401
H -6.512442 1.437048 0.051776
H -7.563721 -1.454791 -0.293599
H -7.771816 -0.461534 1.163793
H 3.448267 -4.534595 0.206922
H -9.076698 1.241255 -0.184390
H -8.867972 0.248427 -1.640464
H -11.141721 -0.159237 -0.608779
H -10.159773 -1.650924 -0.536518
H -10.371292 -0.650515 0.927321


