%chk=000148045.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148045

0 1
 O  -0.9854000     -0.5447000     -0.4942000    
 O   -4.493500     -0.3440000      0.4511000    
 O   -2.318400       2.181800     -0.3866000    
 O  -0.7674000       3.202900      0.8864000    
 O   -4.847500      -2.168300     -0.9866000    
 O   0.4802000     -0.9440000       1.338400    
 O    2.635100     -0.5244000     -0.3686000    
 O   -1.869100       4.409500     -0.7311000    
 C   -2.082500     -0.1605000      0.3400000    
 C   -2.031200       1.320300      0.7128000    
 C  -0.6684000       1.802100       1.128900    
 C   0.3006000     -0.2871000      8.3300002E-02
 C   -3.355200     -0.5181000     -0.3974000    
 C   0.4663000       1.219700      0.2823000    
 C   -3.445900      -1.971500     -0.7943000    
 C   -5.471900      -1.264000     -6.0400002E-02
 C    1.352600     -0.8060000     -0.8966000    
 C   -1.673300       3.363800     -0.1307000    
 C   -6.558200     -0.4882000     -0.7944000    
 C   -6.049000      -2.056500       1.105700    
 C   0.3364000      -2.350100       1.210700    
 C    3.672300     -0.9804000      -1.230100    
 C    5.000500     -0.6521000     -0.6141000    
 C    5.609100      0.5654000     -0.8979000    
 C    5.611200      -1.568500      0.2347000    
 C    6.844100      0.8705000     -0.3256000    
 C    6.846000      -1.263500      0.8072000    
 C    7.462500     -4.4000000E-02  0.5269000    
 H   -2.038100     -0.7413000       1.270500    
 H   -2.781000       1.536600       1.485100    
 H  -0.4905000       1.616000       2.193500    
 H   -3.495000      0.1046000      -1.290400    
 H    1.416500       1.460300      0.7753000    
 H   0.4894000       1.723300     -0.6934000    
 H   -3.117200      -2.645900      4.4000000E-03
 H   -2.900300      -2.208300      -1.711700    
 H    1.233700     -0.2997000      -1.864000    
 H    1.245700      -1.876900      -1.102600    
 H   -7.043600      0.2376000     -0.1339000    
 H   -6.130000      7.3100001E-02  -1.632700    
 H   -7.315700      -1.161000      -1.210000    
 H   -5.256200      -2.604300       1.627900    
 H   -6.521900      -1.396000       1.840100    
 H   -6.780100      -2.795400      0.7614000    
 H   0.1430000      -2.750100       2.211000    
 H  -0.4976000      -2.652300      0.5712000    
 H    1.270000      -2.805500      0.8673000    
 H    3.584000      -2.063400      -1.382500    
 H    3.581700     -0.5003000      -2.212600    
 H    5.135200       1.286000      -1.558700    
 H    5.138800      -2.520400      0.4616000    
 H    7.323900       1.820200     -0.5433000    
 H    7.327400      -1.975100       1.471600    
 H    8.423800      0.1936000      0.9728000    


%chk=000148045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148045

0 1
O -0.986049 -0.575647 -0.577985
O -4.560507 -0.212285 0.245713
O -2.448124 2.199833 -0.938402
O -0.870567 3.476605 0.172032
O -4.938264 -2.282520 -0.857432
O 0.365330 -0.467216 1.424799
O 2.658622 -0.564754 -0.325882
O -1.986247 4.376957 -1.691225
C -2.152903 -0.044028 0.152718
C -2.117448 1.477052 0.335808
C -0.733860 2.070352 0.684761
C 0.305099 -0.140430 0.009367
C -3.390094 -0.524443 -0.612178
C 0.427984 1.389673 -0.057837
C -3.483809 -2.052198 -0.778739
C -5.590563 -1.280169 0.026926
C 1.338990 -0.870962 -0.862544
C -1.789861 3.451907 -0.905944
C -6.792054 -0.711075 -0.726653
C -5.922151 -1.887712 1.393753
C 0.465812 -1.898244 1.755585
C 3.734802 -1.137442 -1.138820
C 5.072212 -0.862898 -0.472405
C 5.149104 -0.329390 0.835747
C 6.268664 -1.164069 -1.171103
C 6.408887 -0.102855 1.437564
C 7.525561 -0.940721 -0.568105
C 7.599838 -0.408388 0.740835
H -2.176967 -0.480140 1.172386
H -2.888448 1.763955 1.072953
H -0.561894 2.135190 1.767298
H -3.477342 -0.002433 -1.582159
H 1.396151 1.695760 0.366431
H 0.406371 1.684990 -1.121710
H -3.038480 -2.578852 0.091244
H -3.042960 -2.427380 -1.713026
H 1.233599 -0.515322 -1.908819
H 1.143986 -1.964309 -0.848757
H -7.327006 0.020635 -0.097628
H -6.454989 -0.210179 -1.648512
H -7.486783 -1.524661 -0.998470
H -5.028868 -2.371001 1.824757
H -6.264271 -1.099722 2.086749
H -6.720150 -2.643033 1.291214
H 0.296365 -1.955911 2.841701
H -0.302801 -2.491764 1.223532
H 1.475537 -2.280754 1.519448
H 3.575085 -2.235360 -1.246519
H 3.711038 -0.695155 -2.159812
H 4.222461 -0.089607 1.364705
H 6.220940 -1.570959 -2.189770
H 6.458678 0.314322 2.449809
H 8.443481 -1.176374 -1.118275
H 8.574763 -0.231368 1.208576


