%chk=000168631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168631

0 1
 O    1.159100     -0.7465000       1.373800    
 O    5.155300      0.1728000      2.6000001E-02
 O   -6.312000      0.3485000      0.8704000    
 C   0.8945000     -0.1002000      0.1249000    
 C    1.748300      -1.341000      0.2021000    
 C    1.524200       1.262800     -5.7100002E-02
 C    3.240100      -1.275400      0.1995000    
 C    3.028900       1.243300      0.3061000    
 C    3.776000      6.0100000E-02 -0.3156000    
 C    1.166200      -2.686600     -8.0200002E-02
 C  -0.4473000     -0.2671000     -0.4649000    
 C    1.342100       1.697100      -1.525500    
 C   0.8045000       2.284700      0.8408000    
 C   -1.607200     -1.8500000E-02  0.1671000    
 C   -2.961200     -0.1684000     -0.3740000    
 C   -3.083300     -0.6523000      -1.796200    
 C   -3.997400      0.1366000      0.4313000    
 C   -5.430700      5.0299998E-02  7.1599998E-02
 H    3.664000      -2.074200     -0.4229000    
 H    3.618200      -1.472600       1.211500    
 H    3.151400       1.199500       1.397900    
 H    3.510600       2.183100      4.9999999E-03
 H    3.706600      9.7499996E-02  -1.407400    
 H    1.206100      -2.897200      -1.154000    
 H    1.735200      -3.467600      0.4367000    
 H   0.1263000      -2.786500      0.2487000    
 H  -0.4591000     -0.6172000      -1.494100    
 H    1.701400      0.9337000      -2.224500    
 H   0.2949000       1.902800      -1.775800    
 H    1.897700       2.620200      -1.728700    
 H    1.293800       3.264000      0.7838000    
 H  -0.2408000       2.433200      0.5516000    
 H   0.8145000       1.969600       1.890500    
 H    5.228700      0.1585000      0.9955000    
 H   -1.546400      0.3268000       1.198900    
 H   -2.581200      4.0700000E-02  -2.480900    
 H   -4.112000     -0.7440000      -2.148000    
 H   -2.628100      -1.643400      -1.903800    
 H   -3.822100      0.4815000       1.448500    
 H   -5.678000     -0.2930000     -0.9414000    


%chk=000168631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168631

0 1
O 0.971080 -0.416617 1.437181
O 5.251188 -0.015788 0.286724
O -6.327282 -0.984598 1.197015
C 0.855566 0.063493 0.007356
C 1.591678 -1.247652 0.314580
C 1.666615 1.356189 -0.297009
C 3.123444 -1.295442 0.372844
C 3.095555 1.243176 0.311440
C 3.836786 -0.025463 -0.135134
C 0.928983 -2.597540 0.102145
C -0.532925 0.026320 -0.545103
C 1.755549 1.577320 -1.835685
C 0.946595 2.562700 0.361623
C -1.643369 -0.259487 0.201292
C -3.022495 -0.293207 -0.299708
C -3.265127 0.014065 -1.767421
C -4.029403 -0.603238 0.600346
C -5.463149 -0.692986 0.315552
H 3.490620 -2.173775 -0.187998
H 3.395248 -1.458717 1.436314
H 3.016480 1.246420 1.417158
H 3.684562 2.129403 0.009159
H 3.917165 -0.048577 -1.235289
H 1.189641 -3.003370 -0.893374
H 1.288536 -3.314804 0.862949
H -0.166785 -2.531789 0.177100
H -0.629772 0.265896 -1.611876
H 2.105875 0.676915 -2.373291
H 0.778051 1.868466 -2.259825
H 2.464228 2.396836 -2.054077
H 1.528179 3.489395 0.200589
H -0.062689 2.713741 -0.062376
H 0.840308 2.403919 1.449707
H 5.281802 0.034578 1.277137
H -1.491272 -0.481564 1.266590
H -2.891266 1.024973 -2.016528
H -4.328211 -0.029274 -2.046158
H -2.717555 -0.701820 -2.408867
H -3.761916 -0.808955 1.646256
H -5.788718 -0.493539 -0.734139


