%chk=000178702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178702

0 1
 O   -2.389200       2.116900      0.2282000    
 O    1.298300      -1.528800     -0.1839000    
 O   -1.114600       3.110200      -1.422900    
 C   -4.007400      0.3204000     -7.0699997E-02
 C   -3.366200     -0.6302000      0.9630000    
 C   -2.989100       1.260700     -0.7336000    
 C   -2.302100      -1.530700      0.3847000    
 C   -5.115100       1.132500      0.6107000    
 C  -0.9840000      -1.102700      0.3704000    
 C   -2.662000      -2.770000     -0.1210000    
 C  -3.9999999E-04  -1.935400     -0.1635000    
 C   -1.678600      -3.602600     -0.6548000    
 C  -0.3478000      -3.185400     -0.6759000    
 C    1.583700     -0.2394000      0.3563000    
 C    3.051700      3.7000000E-02  0.2147000    
 C   -1.462500       2.999500     -0.2550000    
 C    3.923400     -0.3341000       1.232400    
 C    3.527400      0.6612000     -0.9331000    
 C  -0.9179000       3.832800      0.8654000    
 C    5.288000     -7.7600002E-02   1.100900    
 C    4.892100      0.9176000      -1.064600    
 C    5.772400      0.5482000     -4.7600001E-02
 H   -4.467600     -0.2832000     -0.8640000    
 H   -4.147200      -1.254200       1.418800    
 H   -2.940400     -5.5000000E-02   1.796400    
 H   -3.513900       1.880600      -1.472300    
 H   -2.221000      0.6979000      -1.274200    
 H   -5.595700       1.809600     -0.1034000    
 H   -5.889100      0.4687000       1.010700    
 H   -4.726700       1.732800       1.440300    
 H  -0.7719000     -0.1281000      0.7944000    
 H   -3.695900      -3.102800     -0.1110000    
 H   -1.949100      -4.575600      -1.054400    
 H   0.4139000      -3.838300      -1.093100    
 H    1.319800     -0.1962000       1.421400    
 H    1.032600      0.5424000     -0.1836000    
 H    3.557600     -0.8245000       2.130400    
 H    2.851200      0.9513000      -1.732700    
 H  -0.4209000       3.189500       1.596000    
 H   -1.727600       4.396500       1.335400    
 H  -0.1848000       4.540700      0.4681000    
 H    5.973700     -0.3659000       1.892400    
 H    5.269600       1.404400      -1.959200    
 H    6.835100      0.7477000     -0.1502000    


%chk=000178702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178702

0 1
O -2.903111 2.529018 -0.143518
O 1.419847 -1.600616 0.020148
O -0.576373 2.308760 -0.023111
C -4.006254 0.302701 -0.278559
C -3.368501 -0.355222 0.988354
C -3.052501 1.289814 -0.977247
C -2.286249 -1.379845 0.669481
C -5.362529 0.966410 0.055901
C -0.932186 -0.977226 0.539831
C -2.624404 -2.739849 0.458558
C 0.063917 -1.921189 0.190146
C -1.620979 -3.679159 0.118745
C -0.277314 -3.280267 -0.019212
C 1.808624 -0.194497 0.228110
C 3.299701 -0.055059 -0.010753
C -1.628337 2.939972 0.240786
C 4.174242 -1.166230 0.052904
C 3.833574 1.233497 -0.266142
C -1.702340 4.252990 0.990723
C 5.564659 -0.988827 -0.131732
C 5.223490 1.410947 -0.443473
C 6.095110 0.298675 -0.376342
H -4.184691 -0.505516 -1.019572
H -4.183790 -0.846254 1.552864
H -2.971330 0.448075 1.639000
H -3.483847 1.642645 -1.930587
H -2.053956 0.854914 -1.152806
H -5.813604 1.430927 -0.840756
H -6.075287 0.218714 0.448537
H -5.236362 1.758062 0.815244
H -0.672478 0.073142 0.697836
H -3.666163 -3.065061 0.566635
H -1.887208 -4.730750 -0.037347
H 0.510943 -3.991371 -0.284547
H 1.554746 0.097316 1.270166
H 1.234987 0.466345 -0.450750
H 3.755412 -2.160224 0.233790
H 3.159727 2.097530 -0.328930
H -2.614185 4.303692 1.605952
H -1.738810 5.086348 0.265386
H -0.805514 4.375239 1.616109
H 6.233342 -1.856088 -0.084733
H 5.624410 2.411724 -0.640781
H 7.173372 0.434197 -0.518008


