%chk=000127596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127596

0 1
 O   0.6643000     -0.3705000     -9.4999997E-03
 O   -2.752700       2.141800      -1.526500    
 O   -3.451900       1.011400       1.840300    
 O  -9.6000001E-02   3.592100     -0.2481000    
 C   -2.402800       1.862600     -0.1699000    
 C   -3.402700      0.8534000      0.4224000    
 C  -0.9775000       1.383800     -0.1323000    
 C   -3.031900     -0.5863000      0.1520000    
 C   -1.686500     -0.9545000     -5.2099999E-02
 C  -0.6395000      8.5400000E-02 -5.5100001E-02
 C   0.1186000       2.387600     -0.1676000    
 C   -4.031700      -1.571400      0.1602000    
 C   -1.376200      -2.309000     -0.2523000    
 C    1.701300      0.5467000     -2.5900001E-02
 C    1.503000       1.870500     -0.1058000    
 C   -3.706800      -2.910600     -4.4399999E-02
 C   -2.380800      -3.278600     -0.2503000    
 C    3.048000     -5.5100001E-02  2.7200000E-02
 C    4.109500      0.6466000      0.6057000    
 C    3.269600      -1.330100     -0.5006000    
 C    5.382200      7.7900000E-02  0.6556000    
 C    4.542300      -1.898800     -0.4506000    
 C    5.598500      -1.194900      0.1276000    
 H   -2.493000       2.804300      0.3854000    
 H   -4.405200       1.051300      2.2399999E-02
 H   -5.070000      -1.297900      0.3308000    
 H  -0.3514000      -2.632500     -0.4187000    
 H    2.300200       2.603100     -0.1471000    
 H   -2.150900       2.832500      -1.853000    
 H   -3.769500       1.911900       2.023900    
 H   -4.486600      -3.666300     -3.8800001E-02
 H   -2.125800      -4.322600     -0.4087000    
 H    3.976700       1.631600       1.045500    
 H    2.467100      -1.898600     -0.9645000    
 H    6.204000      0.6238000       1.109800    
 H    4.711500      -2.889200     -0.8633000    
 H    6.589300      -1.638100      0.1673000    


%chk=000127596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127596

0 1
O 0.701709 -0.365946 0.006160
O -2.745624 3.096229 -0.221247
O -4.729330 1.067953 -0.130468
O -0.179177 3.686643 0.311311
C -2.421180 1.787370 0.343564
C -3.323539 0.788388 -0.400648
C -0.954672 1.403499 0.175217
C -2.997407 -0.650446 -0.039589
C -1.626441 -1.014964 0.132410
C -0.629817 0.063279 0.087681
C 0.093306 2.426815 0.197039
C -3.996552 -1.637197 0.055877
C -1.275887 -2.368414 0.368532
C 1.744950 0.578295 0.004676
C 1.459474 1.925508 0.086990
C -3.642893 -2.984973 0.303280
C -2.283666 -3.351471 0.449326
C 3.075608 -0.053178 -0.101911
C 4.255582 0.695722 0.164195
C 3.197974 -1.420222 -0.475812
C 5.523737 0.093493 0.050741
C 4.469535 -2.018804 -0.586500
C 5.637718 -1.266032 -0.325696
H -2.673826 1.773414 1.429251
H -3.111821 0.943535 -1.485603
H -5.040250 -1.333285 -0.061116
H -0.224058 -2.636333 0.505288
H 2.264085 2.663290 0.063494
H -1.961961 3.700731 -0.017321
H -4.849843 2.043308 -0.275115
H -4.425826 -3.747310 0.381040
H -2.013440 -4.396161 0.636022
H 4.186702 1.742542 0.477323
H 2.295392 -2.000022 -0.687609
H 6.423324 0.681057 0.262433
H 4.549681 -3.070900 -0.880121
H 6.625134 -1.732113 -0.412096


