%chk=000163078.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163078

0 1
 O    1.962800      0.2126000      -2.679100    
 O   0.2771000      -2.208000     -0.5344000    
 O    3.106300       1.141300      0.2000000    
 O    2.616700      -2.105800      0.9785000    
 O   0.2223000      0.7020000       2.327800    
 O   -3.753500      0.5131000      0.5686000    
 O    4.433400     -7.3299997E-02   1.649400    
 O   -4.180500       1.979600      -1.164600    
 C   0.7855000      0.6042000     -0.5022000    
 C    1.045600     -0.2954000      -1.696400    
 C  -0.5652000      5.8800001E-02  0.1661000    
 C    1.441700      -1.607500      -1.112000    
 C    2.031900      0.2234000      0.4024000    
 C   0.6337000     -7.7000000E-02  -3.132300    
 C    2.494500      -1.176200     -8.0200002E-02
 C  -0.3882000      -1.463100      0.5027000    
 C   0.7363000       2.099100     -0.8385000    
 C   -1.787700      0.1981000     -0.8006000    
 C  -0.8814000      0.8467000       1.466500    
 C   -3.094200     -0.4257000     -0.2788000    
 C   -1.677800      -2.193400      0.7671000    
 C   -2.898600      -1.733400      0.4458000    
 C    4.252200      0.8687000      0.8898000    
 C   -4.136600      -2.525200      0.7587000    
 C    5.286300       1.908700      0.5810000    
 C   -3.987300       1.741600      2.0000000E-02
 C   -3.975400       2.786000       1.094800    
 H    1.856000      -2.311000      -1.840900    
 H    1.895500      0.1789000       1.470700    
 H   0.4975000     -0.9454000      -3.764000    
 H  -3.1999999E-03  0.7624000      -3.376400    
 H    3.465500      -1.113900     -0.5878000    
 H   0.2070000      -1.578100       1.414800    
 H    1.630900       2.422100      -1.382900    
 H  -0.1118000       2.353000      -1.479700    
 H   0.6759000       2.712500      6.5700002E-02
 H   -1.560600     -0.3378000      -1.729300    
 H   -1.900600       1.244600      -1.086600    
 H   -1.752100      0.4546000       1.996800    
 H   -1.046300       1.909000       1.270200    
 H   -3.749700     -0.6149000      -1.140200    
 H   -1.585000      -3.159000       1.259800    
 H    2.805800      -2.974300      0.5844000    
 H   2.7200000E-02   1.205200       3.136400    
 H   -3.908000      -3.470700       1.261600    
 H   -4.678900      -2.761300     -0.1626000    
 H   -4.799100      -1.952000       1.415100    
 H    4.923900       2.893500      0.8862000    
 H    5.515800       1.896500     -0.4875000    
 H    6.201700       1.686300       1.136800    
 H   -3.024600       3.322500       1.073000    
 H   -4.115600       2.333100       2.080500    
 H   -4.803200       3.480500      0.9273000    


%chk=000163078-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163078

0 1
O 2.087650 0.076287 -2.969487
O 0.215690 -2.386261 -0.724257
O 3.512490 0.573238 0.110083
O 2.732931 -2.725755 0.473645
O 0.482421 0.505345 2.533842
O -3.511347 0.757719 0.745498
O 2.936227 1.757887 2.034150
O -4.397386 1.897451 -1.090391
C 1.049191 0.396468 -0.579667
C 1.129306 -0.408244 -1.896709
C -0.312153 -0.024787 0.151233
C 1.390330 -1.830729 -1.439519
C 2.267186 -0.250397 0.215636
C 0.602233 -0.034235 -3.234297
C 2.576295 -1.620955 -0.461157
C -0.274394 -1.552099 0.453467
C 1.176983 1.913163 -0.803922
C -1.541965 0.253512 -0.760586
C -0.512650 0.759720 1.497922
C -2.888201 -0.249058 -0.205878
C -1.615350 -2.146827 0.803918
C -2.815463 -1.560925 0.547161
C 3.749501 1.506457 1.104865
C -4.135271 -2.174580 0.958753
C 5.098753 2.160532 0.931299
C -4.243275 1.792984 0.148941
C -4.776003 2.745882 1.196565
H 1.596520 -2.547253 -2.248470
H 2.042645 -0.384543 1.284043
H 0.319700 -0.823347 -3.943016
H 0.097311 0.929612 -3.372604
H 3.519443 -1.532392 -1.026775
H 0.422563 -1.723020 1.298940
H 2.040154 2.117701 -1.458874
H 0.277742 2.320511 -1.298737
H 1.314569 2.461838 0.141035
H -1.399553 -0.274116 -1.720302
H -1.638540 1.327909 -0.998372
H -1.470441 0.450942 1.941500
H -0.587781 1.842532 1.266435
H -3.600960 -0.327673 -1.050694
H -1.591180 -3.127873 1.294561
H 1.877015 -3.234452 0.478364
H 1.295491 1.079124 2.416801
H -3.992967 -3.140517 1.471734
H -4.788000 -2.340623 0.079398
H -4.682165 -1.495877 1.639691
H 5.221466 2.517924 -0.104806
H 5.896579 1.419884 1.117995
H 5.203080 2.994867 1.638992
H -4.056974 3.574180 1.336541
H -4.907678 2.240027 2.164839
H -5.727865 3.179041 0.852173


