%chk=000176458.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176458

0 1
 O    1.262000      -1.321800      0.6382000    
 O   0.6009000     -0.5219000      -1.452800    
 O    4.376700      -3.442200      -1.073500    
 O    4.051000      -1.734600       1.096100    
 O    2.153200      -2.550900      -2.694600    
 O   0.4698000      -1.579800       3.254600    
 O   -1.978900       1.596200      6.9499999E-02
 O   -3.863600      -2.793900     -0.9646000    
 O    2.955300       3.264600       1.867300    
 O   -6.501400      0.6046000       1.037200    
 O    3.329300       5.003100     -0.2691000    
 C    3.070000      -3.196600     -0.5609000    
 C    3.146500      -2.827000      0.9208000    
 C    2.413300      -2.080200      -1.372200    
 C    1.759400      -2.412200       1.423800    
 C    1.086400      -1.657600     -0.7375000    
 C    1.782900      -1.952700       2.876900    
 C  -0.5968000     -7.5199999E-02 -0.9404000    
 C  -0.7661000       1.160700     -0.4435000    
 C   -1.710900     -0.9958000     -0.9465000    
 C   -2.913300     -0.6261000     -0.4604000    
 C   -3.072300      0.7318000      7.6899998E-02
 C   0.3018000       2.160600     -0.3949000    
 C   -4.062300      -1.529300     -0.4499000    
 C   -4.247300       1.145400      0.5705000    
 C    1.133700       2.242800      0.7235000    
 C   0.4915000       3.035200      -1.466800    
 C   -5.247600      -1.135200      3.9200000E-02
 C   -5.422100      0.2359000      0.5860000    
 C    2.151200       3.195800      0.7698000    
 C    1.508900       3.988100      -1.420500    
 C    2.338800       4.068400     -0.3022000    
 H    2.500900      -4.127300     -0.6790000    
 H    3.546000      -3.666100       1.499900    
 H    3.093800      -1.225700      -1.470400    
 H    1.050200      -3.245100       1.329500    
 H   0.3862000      -2.497700     -0.8276000    
 H    2.423500      -1.076600       3.019900    
 H    2.124500      -2.752200       3.540900    
 H    4.284200      -3.654100      -2.018100    
 H    3.642900     -0.9366000      0.7199000    
 H    1.712500      -1.831200      -3.177900    
 H   0.1777000     -0.8772000       2.648800    
 H   -1.553300      -1.959700      -1.415200    
 H   -4.379100       2.144600      0.9705000    
 H   0.9946000       1.567000       1.564800    
 H  -0.1475000       2.985200      -2.345200    
 H   -6.106700      -1.796400      5.2200001E-02
 H    1.644000       4.661600      -2.262500    
 H   -2.987600      -3.112800     -0.6928000    
 H    3.601900       3.978400       1.728500    
 H    3.308600       5.515900      -1.095300    


%chk=000176458-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176458

0 1
O 1.692119 -1.252686 0.878435
O 0.584795 -0.750500 -1.139896
O 4.132820 -4.065222 -1.102838
O 4.556348 -1.793837 0.724772
O 1.676494 -3.235435 -2.317040
O 1.464278 -1.132338 3.719093
O -2.151417 1.595883 -0.290308
O -4.265995 -2.810340 -1.080175
O 3.818665 2.538992 0.291367
O -6.933199 1.113916 -0.341923
O 3.108525 5.153714 0.212364
C 3.029188 -3.498359 -0.349425
C 3.565522 -2.844931 0.949433
C 2.241680 -2.478629 -1.195400
C 2.349504 -2.300430 1.735099
C 1.130429 -1.834302 -0.349441
C 2.682004 -1.593094 3.051502
C -0.697558 -0.247281 -0.783573
C -0.848288 1.105014 -0.454432
C -1.834189 -1.104746 -0.922683
C -3.128864 -0.629679 -0.713873
C -3.312335 0.789152 -0.424200
C 0.163448 2.155112 -0.290831
C -4.343783 -1.430596 -0.811682
C -4.538792 1.391827 -0.295422
C 1.538752 1.844159 -0.082772
C -0.240861 3.523258 -0.319363
C -5.588571 -0.852072 -0.696519
C -5.763787 0.592840 -0.443216
C 2.477598 2.869484 0.078878
C 0.706052 4.552591 -0.159677
C 2.063784 4.229567 0.036700
H 2.313373 -4.301170 -0.049890
H 4.102241 -3.611883 1.534064
H 2.920713 -1.679528 -1.557152
H 1.608758 -3.105091 1.929534
H 0.348378 -2.579719 -0.080359
H 3.391678 -0.762741 2.865972
H 3.150237 -2.308771 3.747479
H 3.765384 -4.387593 -1.967229
H 4.092232 -0.969789 0.419031
H 1.355853 -2.599900 -3.005349
H 1.005288 -0.502448 3.105689
H -1.651655 -2.136089 -1.247467
H -4.635038 2.460679 -0.090864
H 1.880796 0.813353 -0.014099
H -1.293944 3.768948 -0.469671
H -6.491195 -1.464864 -0.775835
H 0.385473 5.600974 -0.189696
H -3.413098 -3.200769 -0.764819
H 4.352502 3.369874 0.395022
H 2.794961 6.089694 0.193583


