%chk=000107991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107991

0 1
 O   -2.127300      -2.994400     -0.1216000    
 O   -3.522800      -2.587400       1.741100    
 O   -1.172700       1.527000      0.4669000    
 O   -5.543100      0.6969000      5.7999998E-02
 O    1.275300       2.261800      0.4204000    
 O    2.976600      -2.735200     -0.4318000    
 O    3.666900       3.171200      0.3912000    
 O    7.168800      5.8300000E-02 -0.3022000    
 O   -5.539900       2.516200      -1.365700    
 C   -3.054800     -0.7691000      0.2159000    
 C   -1.567800     -0.7771000      0.1661000    
 C   -3.294300      -2.286100      0.3636000    
 C   -3.647800     -0.2120000      -1.073600    
 C   -1.117600      -2.069800     -4.6700001E-02
 C  -0.6767000      0.2781000      0.2585000    
 C   0.6932000      4.6999999E-03  0.1302000    
 C    1.140700      -1.309400     -9.4099998E-02
 C   0.2244000      -2.365700     -0.1888000    
 C   -5.163600     -0.1565000      -1.012700    
 C    1.662300       1.116000      0.2261000    
 C    2.584200      -1.591600     -0.2349000    
 C    3.103900      0.8277000      8.6099997E-02
 C    3.548200     -0.4771000     -0.1359000    
 C    4.029700       1.874300      0.1773000    
 C    4.918300     -0.7353000     -0.2661000    
 C    5.837100      0.3104000     -0.1747000    
 C    5.393800       1.612600      4.6500001E-02
 C   -5.697800       2.018500     -0.2592000    
 C   -6.097000       2.793000      0.9602000    
 H   -3.406100     -0.2202000       1.096900    
 H   -4.164000      -2.637600     -0.1992000    
 H   -3.343500     -0.8180000      -1.936700    
 H   -3.257400      0.7983000      -1.248300    
 H   0.5409000      -3.388700     -0.3633000    
 H   -5.577900      0.1858000      -1.968700    
 H   -5.604500      -1.139400     -0.8252000    
 H   -4.023500      -3.420300       1.771600    
 H  -0.4596000       2.181700      0.4958000    
 H    5.276800      -1.747100     -0.4391000    
 H    6.121600       2.417800      0.1153000    
 H    4.460300       3.732700      0.4201000    
 H   -5.319100       2.708000       1.723200    
 H   -7.051600       2.420100       1.339800    
 H   -6.214000       3.848300      0.6978000    
 H    7.297400     -0.8943000     -0.4509000    


%chk=000107991-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107991

0 1
O -2.112303 -3.170006 -0.122085
O -3.737618 -2.771161 1.616292
O -1.275526 1.462396 0.336709
O -5.600616 0.822593 0.120053
O 1.067217 2.313457 0.322491
O 3.086630 -2.787658 -0.321213
O 3.558058 3.272205 0.314975
O 7.217509 0.188708 -0.179313
O -5.435447 2.611918 -1.371534
C -3.141398 -0.948624 0.134459
C -1.628549 -0.900690 0.107124
C -3.408330 -2.472756 0.253092
C -3.778230 -0.304148 -1.126776
C -1.104211 -2.196692 -0.051827
C -0.755560 0.202602 0.183386
C 0.668160 -0.028808 0.091823
C 1.151239 -1.366752 -0.075450
C 0.272541 -2.469441 -0.149505
C -5.296754 -0.115986 -0.999627
C 1.576015 1.125012 0.173345
C 2.614875 -1.614892 -0.170621
C 3.032523 0.903371 0.083830
C 3.536145 -0.428481 -0.083140
C 3.997221 1.963938 0.154645
C 4.914786 -0.697008 -0.173776
C 5.836222 0.370074 -0.098965
C 5.382105 1.692740 0.064003
C -5.591248 2.190935 -0.204083
C -5.770538 3.028333 1.041083
H -3.550411 -0.450644 1.031573
H -4.146653 -2.886097 -0.459449
H -3.564319 -0.924394 -2.020099
H -3.313708 0.682199 -1.299675
H 0.670093 -3.478951 -0.273974
H -5.719593 0.292549 -1.933950
H -5.821230 -1.043458 -0.714282
H -3.845826 -3.749757 1.734649
H -0.445543 2.107919 0.366737
H 5.227488 -1.740129 -0.300642
H 6.121856 2.499597 0.118526
H 4.328615 3.896574 0.345279
H -4.783116 3.184042 1.513754
H -6.418655 2.518517 1.770619
H -6.185744 4.011205 0.772358
H 7.447830 -0.767253 -0.291623


