%chk=000117006.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117006

0 1
 O   -1.970400     -0.9661000     -0.2755000    
 O  -0.3953000      -2.178200      0.8861000    
 O  -0.6129000       5.138900      0.4021000    
 O    5.676500      -1.785200      0.3820000    
 C   0.3055000     -0.3427000     -0.5684000    
 C   5.7799999E-02   1.136900     -0.3059000    
 C    1.755500     -0.7324000     -0.3113000    
 C  -0.6916000      -1.267300      0.1232000    
 C   -4.339000      -1.316600     -0.2895000    
 C   -2.998900      -1.790700      0.2546000    
 C   -5.495100      -2.151600      0.2536000    
 C   0.2765000       2.039300      -1.325800    
 C    2.513700      -1.204100      -1.362300    
 C  -0.3780000       1.528000      0.9427000    
 C    2.264200     -0.6006000      0.9637000    
 C   4.9100000E-02   3.394400      -1.086000    
 C    3.841700      -1.560200      -1.127500    
 C  -0.6055000       2.883200       1.182600    
 C    3.592200     -0.9569000       1.198600    
 C   -6.834900      -1.647600     -0.2583000    
 C  -0.3918000       3.816300      0.1682000    
 C    4.380900      -1.436800      0.1530000    
 H   0.1043000     -0.5180000      -1.637400    
 H   -4.322500      -1.356900      -1.385800    
 H   -4.479900     -0.2594000     -3.1199999E-02
 H   -2.992600      -1.721700       1.348800    
 H   -2.821500      -2.831500     -4.0600002E-02
 H   -5.495900      -2.119300       1.349400    
 H   -5.367300      -3.199900     -4.0100001E-02
 H   0.6212000       1.720100      -2.304700    
 H    2.105900      -1.304700      -2.363500    
 H  -0.5485000      0.8215000       1.748800    
 H    1.666800     -0.2434000       1.795400    
 H   0.2198000       4.111500      -1.884500    
 H    4.451200      -1.933400      -1.946000    
 H  -0.9482000       3.206000       2.161900    
 H    3.999600     -0.8591000       2.201300    
 H   -7.007900     -0.6112000      4.8999999E-02
 H   -6.879900      -1.694400      -1.351000    
 H   -7.648500      -2.260800      0.1418000    
 H  -0.4148000       5.639500     -0.4080000    
 H    5.881600      -1.635800       1.321100    


%chk=000117006-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117006

0 1
O -2.167112 -0.786188 -0.230136
O -1.145727 -0.309621 1.805590
O 0.967675 5.989210 0.848328
O 4.639523 -2.890497 -0.251641
C -0.096363 0.428933 -0.335766
C 0.144583 1.906240 0.005791
C 1.183935 -0.428551 -0.284713
C -1.158631 -0.228710 0.554800
C -4.200181 -2.087666 -0.543011
C -3.246181 -1.517670 0.506128
C -5.367587 -2.866543 0.109112
C 0.485990 2.790166 -1.047920
C 1.482218 -1.312271 -1.352846
C 0.086841 2.424714 1.326629
C 2.066903 -0.379083 0.820966
C 0.766986 4.150819 -0.803130
C 2.633759 -2.124472 -1.331232
C 0.360379 3.782792 1.585602
C 3.221799 -1.187354 0.858940
C -6.340271 -3.450287 -0.938011
C 0.704273 4.645879 0.521576
C 3.504395 -2.059540 -0.220573
H -0.489855 0.373217 -1.365400
H -3.637884 -2.755923 -1.223281
H -4.600538 -1.260777 -1.160792
H -3.747283 -0.804098 1.186285
H -2.773748 -2.306550 1.120343
H -5.922215 -2.195074 0.795553
H -4.961197 -3.687201 0.734509
H 0.540500 2.411065 -2.075570
H 0.804118 -1.369203 -2.212963
H -0.190453 1.763026 2.153527
H 1.854667 0.294508 1.656911
H 1.028566 4.816923 -1.635914
H 2.871493 -2.804899 -2.154039
H 0.311233 4.188029 2.600648
H 3.898072 -1.137627 1.722709
H -6.785264 -2.648513 -1.556457
H -5.817861 -4.148688 -1.618323
H -7.166438 -4.003061 -0.455109
H 1.199613 6.508552 0.038866
H 5.180369 -2.774907 0.568612


