%chk=000124426.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124426

0 1
 O  -0.1918000     -0.2903000       1.436300    
 O   0.3165000       3.489800      0.8014000    
 O    1.911400      -1.834900       2.613600    
 O   -4.062700      -2.311200     -0.9796000    
 O   -6.082400     -0.4079000     -0.8218000    
 O    7.230800     -0.8904000      -2.915600    
 C   7.0000000E-02   1.388300     -0.3081000    
 C  -0.8255000      0.8803000      0.8472000    
 C    1.369100      0.8232000      0.1472000    
 C    1.134300     -0.1433000       1.115600    
 C   3.8699999E-02   2.902000     -0.4580000    
 C   -2.227200      0.5332000      0.4007000    
 C    2.656200       1.077500     -0.2943000    
 C    3.707200      0.3467000      0.2668000    
 C    2.155800     -0.8877000       1.674000    
 C    3.458200     -0.6309000       1.243700    
 C    5.107300      0.5995000     -0.1836000    
 C   -2.507700     -0.7421000     -9.0499997E-02
 C   -3.241100       1.488100      0.4796000    
 C    5.500600     -0.2804000      -1.376000    
 C   -3.801400      -1.062400     -0.5022000    
 C   -4.534700       1.168000      6.7699999E-02
 C   -4.814900     -0.1073000     -0.4231000    
 C    6.944600     -5.5399999E-02  -1.802000    
 C    1.657900      -3.163400       2.152600    
 C   -3.909500      -2.513600      -2.383100    
 C   -7.059600      0.6248000     -0.7084000    
 H  -0.1951000      0.9139000      -1.261800    
 H  -0.8970000       1.603300       1.671400    
 H  -0.9491000       3.238300     -0.7882000    
 H   0.7843000       3.249700      -1.180100    
 H    2.840700       1.817900      -1.066100    
 H    4.283500      -1.198600       1.667900    
 H    5.226400       1.658200     -0.4484000    
 H    5.799700      0.4261000      0.6504000    
 H   -1.727100      -1.494700     -0.1681000    
 H   -3.034200       2.485100      0.8597000    
 H    5.358900      -1.341500      -1.132300    
 H    4.833500     -8.5900001E-02  -2.226000    
 H   0.2838000       4.454000      0.6808000    
 H   -5.270700       1.959500      0.1574000    
 H    7.636600     -0.3140000     -0.9948000    
 H    7.121000      0.9856000      -2.090800    
 H    1.480500      -3.799800       3.023700    
 H   0.7684000      -3.184400       1.514900    
 H    2.523500      -3.549600       1.605100    
 H    6.633200     -0.6320000      -3.637800    
 H   -4.160100      -3.553700      -2.608600    
 H   -4.586800      -1.861100      -2.942900    
 H   -2.873900      -2.329300      -2.686000    
 H   -8.007600      0.2123000      -1.069200    
 H   -7.217400      0.9183000      0.3350000    
 H   -6.820200       1.479300      -1.350600    


%chk=000124426-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124426

0 1
O -0.071669 -0.282243 1.410855
O 0.324497 3.562621 0.871588
O 2.277087 -1.914394 2.562483
O -3.707219 -2.120265 -1.761375
O -6.032150 -0.696346 -0.944282
O 7.761519 -1.177014 -2.749245
C 0.173085 1.441902 -0.314975
C -0.784619 0.915808 0.808848
C 1.520400 0.852217 0.091358
C 1.292721 -0.152577 1.054410
C 0.119232 2.969589 -0.458718
C -2.166917 0.507401 0.361877
C 2.816740 1.136403 -0.366337
C 3.913639 0.397927 0.155394
C 2.361560 -0.919139 1.578964
C 3.665339 -0.615954 1.112033
C 5.333680 0.655454 -0.331329
C -2.352086 -0.584151 -0.522838
C -3.300892 1.226958 0.796924
C 5.831490 -0.420153 -1.336649
C -3.632843 -0.964442 -0.964965
C -4.595954 0.865402 0.361137
C -4.778206 -0.234712 -0.507758
C 7.261890 -0.140287 -1.829940
C 1.000469 -2.637113 2.727734
C -4.480077 -2.050568 -3.018556
C -7.222246 -0.025238 -0.414108
H -0.138888 1.016655 -1.292432
H -0.837345 1.673992 1.611242
H -0.871492 3.268105 -0.863783
H 0.904891 3.297499 -1.171581
H 2.992498 1.924306 -1.109028
H 4.491496 -1.200432 1.532715
H 5.388754 1.651875 -0.813406
H 6.032269 0.681520 0.528975
H -1.500305 -1.181615 -0.863962
H -3.178296 2.071277 1.485121
H 5.802361 -1.419240 -0.862523
H 5.136185 -0.456609 -2.201499
H 0.567994 4.516052 0.781389
H -5.459709 1.431265 0.722786
H 7.975006 -0.159473 -0.987693
H 7.313962 0.864768 -2.305093
H 1.203234 -3.384068 3.510237
H 0.190037 -1.957505 3.035224
H 0.714217 -3.142615 1.786300
H 7.132477 -1.253185 -3.510987
H -4.345910 -3.038383 -3.485198
H -5.545994 -1.855209 -2.819514
H -4.067985 -1.264536 -3.681468
H -8.073782 -0.564749 -0.854102
H -7.263045 -0.098437 0.689549
H -7.256199 1.038754 -0.719100


