%chk=000127742.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127742

0 1
 O  -0.1112000     -0.6593000      -1.477000    
 O  -0.8269000      -1.568700       1.187200    
 O  -0.1788000      -2.045200      -1.026400    
 O    1.465300      -1.064100       1.089600    
 O    3.686700     -0.9758000      0.7792000    
 C  -0.1208000      0.2301000     -0.3331000    
 C   -1.513600      0.9304000     -0.3890000    
 C    1.015500       1.237100     -0.5759000    
 C   -1.582700       2.197500      0.5096000    
 C   0.1269000     -0.5155000      0.9900000    
 C   -2.691100     -2.5100000E-02 -8.0799997E-02
 C   0.9346000       2.453700      0.3537000    
 C  -0.4136000       3.148700      0.2234000    
 C   -1.228600      -2.140300     -5.9900001E-02
 C   -2.528300      -1.474400     -0.5546000    
 C    2.356900      0.5674000     -0.4453000    
 C   -2.900700       2.963600      0.3417000    
 C    2.572200     -0.5331000      0.5197000    
 C   -1.456100      -3.631600      0.1763000    
 C    3.394300      0.9047000      -1.228300    
 H   -1.660000       1.256100      -1.430800    
 H   0.9200000       1.601200      -1.610600    
 H   -1.517000       1.889500       1.561400    
 H   1.9099999E-02  0.1492000       1.852300    
 H   -3.607500      0.3762000     -0.5318000    
 H   -2.875400     -3.8899999E-02   1.001800    
 H    1.726300       3.171400      0.1034000    
 H    1.100900       2.165200       1.399000    
 H  -0.4447000       3.997600      0.9172000    
 H  -0.5104000       3.564800     -0.7878000    
 H   -3.396700      -2.023000     -0.1671000    
 H   -2.592500      -1.522200      -1.648600    
 H   -2.892100       3.885300      0.9338000    
 H   -3.069800       3.236600     -0.7054000    
 H   -3.755000       2.371600      0.6835000    
 H   -1.763800      -4.138000     -0.7448000    
 H  -0.5297000      -4.110300      0.5153000    
 H   -2.209200      -3.804900      0.9524000    
 H    3.296900       1.693100      -1.968600    
 H    4.362600      0.4196000      -1.165200    


%chk=000127742-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127742

0 1
O -0.039217 -0.672632 -1.485341
O -0.825439 -1.578884 1.213622
O -0.161507 -2.134924 -1.025023
O 1.465861 -0.999313 1.213958
O 3.662897 -1.168309 0.644498
C -0.125612 0.273773 -0.308482
C -1.526581 0.955907 -0.380047
C 1.033775 1.263278 -0.569802
C -1.609325 2.233882 0.517597
C 0.079678 -0.478344 1.026464
C -2.690913 -0.028273 -0.068030
C 0.952133 2.481956 0.394597
C -0.413486 3.186234 0.260157
C -1.272240 -2.210424 -0.072492
C -2.533599 -1.473170 -0.598516
C 2.376902 0.550931 -0.514784
C -2.944857 2.986595 0.314449
C 2.577072 -0.585265 0.449493
C -1.442534 -3.697796 0.210002
C 3.435065 0.923051 -1.281555
H -1.617873 1.283568 -1.438082
H 0.891468 1.647928 -1.599882
H -1.562548 1.907978 1.580244
H -0.090758 0.190989 1.886538
H -3.621878 0.386724 -0.495848
H -2.835098 -0.077423 1.028235
H 1.774677 3.177791 0.147220
H 1.122286 2.158823 1.440934
H -0.469016 4.036951 0.966382
H -0.505993 3.613521 -0.760629
H -3.423387 -2.051952 -0.287760
H -2.495597 -1.491408 -1.702801
H -2.949451 3.928113 0.894330
H -3.089741 3.247931 -0.751771
H -3.814956 2.391959 0.641313
H -1.921886 -4.203746 -0.644419
H -0.461985 -4.159210 0.409493
H -2.074296 -3.816999 1.106276
H 3.354703 1.735065 -2.013710
H 4.395256 0.405323 -1.187330


