%chk=000138708.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138708

0 1
 O    2.384600     -0.2816000       2.133500    
 O   -2.265700      9.8499998E-02   1.963200    
 C   0.1548000      0.9780000      0.7906000    
 C    1.620600       1.114400      0.3186000    
 C  -0.4318000     -0.4264000      0.5285000    
 C  -0.7158000       2.029400      0.1133000    
 C    2.559300      0.1169000      0.9843000    
 C   -1.869600     -0.5593000       1.000700    
 C  -0.8747000       3.255400      0.7244000    
 C   -1.316500       1.721400      -1.089200    
 C    3.739300     -0.3744000      0.2265000    
 C   -2.820400      -1.480100      0.3096000    
 C   -1.671500       4.217900      0.1045000    
 C   -2.113200       2.684200      -1.709100    
 C   -2.290600       3.932400      -1.112300    
 C    4.320000      0.4538000     -0.7113000    
 C   -2.320900      -2.612200     -0.2917000    
 C    4.216300      -1.642300      0.4857000    
 C   -4.158500      -1.160300      0.3019000    
 C    5.427900     -7.1000000E-03  -1.422500    
 C   -3.209100      -3.472500     -0.9372000    
 C    5.324200      -2.103100     -0.2255000    
 C   -5.046800      -2.020700     -0.3436000    
 C    5.930000      -1.285400      -1.179600    
 C   -4.571800      -3.176800     -0.9630000    
 H   0.1227000       1.150000       1.876000    
 H    1.650700      0.9713000     -0.7685000    
 H    1.997200       2.121100      0.5370000    
 H   0.1357000      -1.169300       1.102600    
 H  -0.3287000     -0.7194000     -0.5206000    
 H  -0.3944000       3.485900       1.670400    
 H   -1.180100      0.7835000      -1.613100    
 H   -1.808900       5.190100      0.5686000    
 H   -2.588700       2.465600      -2.660900    
 H   -2.909200       4.682600      -1.596100    
 H    3.960800       1.459100     -0.9066000    
 H   -1.267200      -2.870300     -0.2699000    
 H    3.751700      -2.292100       1.221400    
 H   -4.540400     -0.2608000      0.7748000    
 H    5.902400      0.6308000      -2.162500    
 H   -2.840200      -4.374600      -1.416500    
 H    5.714700      -3.099000     -3.7400000E-02
 H   -6.107800      -1.790000     -0.3650000    
 H    6.793200      -1.644000      -1.732700    
 H   -5.263500      -3.847000      -1.465000    


%chk=000138708-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138708

0 1
O 1.873245 -1.090415 1.452093
O -2.350955 0.188269 1.748711
C 0.029586 0.809730 0.369414
C 1.487609 0.715533 -0.149667
C -0.786450 -0.452553 -0.009521
C -0.628416 2.095833 -0.142621
C 2.346953 -0.352886 0.536139
C -2.105306 -0.566631 0.762357
C -1.105751 3.071958 0.767139
C -0.762368 2.348396 -1.533806
C 3.781756 -0.503081 0.107584
C -3.099672 -1.616910 0.344646
C -1.691694 4.271602 0.303365
C -1.350906 3.543688 -2.002735
C -1.815883 4.513351 -1.084060
C 4.367192 0.303536 -0.906181
C -2.824328 -2.572909 -0.670084
C 4.576476 -1.492688 0.748990
C -4.358150 -1.653315 1.004818
C 5.718446 0.121821 -1.270281
C -3.787919 -3.544595 -1.015967
C 5.924814 -1.673774 0.385165
C -5.322111 -2.618660 0.655280
C 6.499705 -0.866372 -0.626641
C -5.039303 -3.568228 -0.356955
H 0.059703 0.849201 1.473203
H 1.503981 0.534967 -1.244481
H 1.985456 1.696749 -0.008596
H -0.188884 -1.354795 0.230433
H -0.989720 -0.475696 -1.097983
H -1.035391 2.875587 1.842527
H -0.407935 1.606835 -2.262183
H -2.058413 5.011858 1.023636
H -1.447228 3.719327 -3.080528
H -2.272666 5.441735 -1.445265
H 3.775851 1.074360 -1.410577
H -1.858021 -2.569224 -1.184784
H 4.108204 -2.101560 1.529615
H -4.548850 -0.911479 1.787529
H 6.163274 0.747983 -2.051290
H -3.565948 -4.281689 -1.795491
H 6.529590 -2.438102 0.885130
H -6.290601 -2.636277 1.167046
H 7.548940 -1.005710 -0.910306
H -5.787812 -4.321170 -0.628517


