%chk=000157631.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157631

0 1
 O   -3.288600      0.6025000      0.6018000    
 O   -1.726700      -1.055200       1.108200    
 O   -6.106300      -2.192900     -0.4531000    
 O   -6.433400      0.5591000      -1.274800    
 O   -3.251000      -2.916000     -0.3824000    
 O   -3.566500       3.305900      0.1888000    
 O    1.305400       2.525300      0.4953000    
 O    3.792200       2.002800     -1.7100001E-02
 O    6.657600      0.4018000      0.4765000    
 C   -5.016400      -1.298500     -0.6827000    
 C   -5.477500      0.1124000     -0.3167000    
 C   -3.819100      -1.726900      0.1659000    
 C   -4.293400       1.081900     -0.2935000    
 C   -2.738400     -0.6460000      0.1883000    
 C   -4.709500       2.470000      0.1827000    
 C  -0.4539000     -0.6262000      0.8492000    
 C   0.5590000      -1.557400      0.6389000    
 C    1.870900      -1.133600      0.3707000    
 C    2.152900      0.2522000      0.3164000    
 C  -0.1827000      0.7344000      0.7968000    
 C    1.114900       1.173300      0.5315000    
 C    2.909000      -2.054500      0.1551000    
 C    3.464700      0.6761000      4.7800001E-02
 C    4.206500      -1.615700     -0.1101000    
 C    4.483900     -0.2529000     -0.1638000    
 C    5.277300      -2.634200     -0.3329000    
 C    5.842200      0.2025000     -0.4424000    
 C    6.287300      0.4438000      -1.878000    
 C    1.139600       3.165900     -0.7664000    
 H   -4.777400      -1.369500      -1.751000    
 H   -5.977300      9.0599999E-02  0.6595000    
 H   -4.143400      -1.970900       1.184500    
 H   -3.848800       1.185800      -1.292700    
 H   -2.297300     -0.5406000     -0.8142000    
 H   -5.108400       2.441800       1.202200    
 H   -5.459000       2.916500     -0.4769000    
 H   -6.853600      -1.886200     -0.9950000    
 H   -5.996900      0.5887000      -2.143200    
 H   -2.954100      -2.719200      -1.287200    
 H   0.3234000      -2.619000      0.6836000    
 H   -2.913700       2.906900      0.7888000    
 H  -0.9619000       1.467900      0.9794000    
 H    2.696400      -3.121500      0.1953000    
 H    6.089100      -2.505200      0.3906000    
 H    4.900100      -3.655800     -0.2138000    
 H    5.679000      -2.552500      -1.348100    
 H    4.744300       2.136100     -0.1420000    
 H    6.577700       1.491200      -1.992800    
 H    5.471500      0.2270000      -2.573300    
 H    7.129600     -0.2134000      -2.108400    
 H    1.639900       2.616900      -1.570900    
 H    1.573300       4.167600     -0.7030000    
 H   7.3399998E-02   3.261300     -0.9951000    


%chk=000157631-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157631

0 1
O -3.210844 0.232876 0.615435
O -1.764646 -1.412429 -0.196036
O -6.478729 -1.961822 -0.781769
O -6.946879 0.751384 0.246142
O -3.873266 -2.435063 -1.898326
O -3.373569 2.944707 1.594668
O 0.918342 2.568080 -0.882928
O 3.666550 2.187373 -0.697632
O 6.027297 1.926992 -0.432858
C -5.442905 -0.927006 -0.756988
C -5.649928 0.059588 0.403651
C -4.101896 -1.678810 -0.671090
C -4.453734 1.031998 0.470987
C -2.949112 -0.676209 -0.522028
C -4.462164 1.974123 1.678061
C -0.512687 -0.772708 -0.311424
C 0.605345 -1.597014 -0.153250
C 1.911988 -1.043463 -0.231596
C 2.108996 0.366484 -0.498230
C -0.356450 0.614160 -0.572328
C 0.925245 1.178581 -0.684648
C 3.055121 -1.893306 -0.029186
C 3.467352 0.862738 -0.485299
C 4.365009 -1.433099 -0.028379
C 4.612134 -0.008475 -0.243069
C 5.455729 -2.469059 0.202915
C 5.929373 0.631663 -0.231876
C 7.259543 -0.059545 0.000905
C 1.364278 3.072934 -2.197310
H -5.459156 -0.351819 -1.714396
H -5.754850 -0.487823 1.356250
H -4.117511 -2.339438 0.220014
H -4.394915 1.635956 -0.466058
H -2.816490 -0.084476 -1.455774
H -4.403004 1.368694 2.606767
H -5.392705 2.563604 1.691619
H -7.358502 -1.516677 -0.668045
H -6.891172 1.372722 -0.527060
H -4.654310 -3.033749 -2.024642
H 0.464071 -2.664348 0.038082
H -2.515399 2.446895 1.586210
H -1.210177 1.288508 -0.666747
H 2.865393 -2.958581 0.143484
H 6.039960 -2.272309 1.119278
H 4.999574 -3.466663 0.313471
H 6.169176 -2.524869 -0.638189
H 4.749538 2.349347 -0.612089
H 8.042594 0.712408 -0.046683
H 7.467498 -0.826819 -0.764022
H 7.301787 -0.551449 0.987444
H 2.434785 2.864553 -2.352855
H 1.196449 4.159616 -2.154302
H 0.747772 2.625444 -3.001972


