%chk=000081102.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081102

0 1
 O  -0.5076000     -0.4567000     -5.1800001E-02
 O   -2.100200      -2.107700     -0.2935000    
 O    5.534900       1.103700      0.3979000    
 C   -5.181200      0.9739000      1.8900000E-02
 C   -4.215900     -0.2117000     -7.6800004E-02
 C   -6.635800      0.5035000      3.2400001E-02
 C   -2.751000      0.2244000     -5.8600001E-02
 C   -7.598100       1.672300      0.1722000    
 C   -1.783100     -0.9336000     -0.1613000    
 C   0.5262000      -1.445300     -9.9699996E-02
 C    1.858500     -0.7676000      3.2499999E-02
 C    2.410700     -0.5761000       1.293600    
 C    2.527600     -0.3373000      -1.107600    
 C    3.648900      5.4099999E-02   1.416600    
 C    3.766000      0.2928000     -0.9848000    
 C    4.326800      0.4886000      0.2774000    
 C    6.173300       1.522700     -0.8073000    
 H   -5.018500       1.650200     -0.8289000    
 H   -4.970000       1.542800      0.9324000    
 H   -4.398200     -0.9023000      0.7564000    
 H   -4.418200     -0.7744000     -0.9969000    
 H   -6.859600     -4.0300000E-02 -0.8927000    
 H   -6.795000     -0.1922000      0.8644000    
 H   -2.558700      0.8995000     -0.9002000    
 H   -2.544100      0.7575000      0.8765000    
 H   -8.632000       1.313300      0.1779000    
 H   -7.486500       2.373800     -0.6606000    
 H   -7.422100       2.216000       1.105800    
 H   0.4717000      -1.992500      -1.049300    
 H   0.3859000      -2.167600      0.7141000    
 H    1.890600     -0.9086000       2.187600    
 H    2.098000     -0.4833000      -2.094900    
 H    4.080400      0.2044000       2.402400    
 H    4.237400      0.6056000      -1.910200    
 H    5.584500       2.283400      -1.331100    
 H    6.417000      0.6705000      -1.450900    
 H    7.121700       1.991200     -0.5247000    


%chk=000081102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081102

0 1
O -0.528170 -0.415719 -0.136377
O -2.111045 -2.128546 -0.144654
O 5.619228 1.165817 0.442803
C -5.293750 0.947619 0.113792
C -4.299173 -0.221003 -0.059285
C -6.769791 0.495909 0.031254
C -2.831530 0.240539 0.025821
C -7.767371 1.660365 0.210700
C -1.838808 -0.906005 -0.094436
C 0.555574 -1.465690 -0.227727
C 1.884874 -0.776201 -0.084873
C 2.382370 -0.416832 1.197527
C 2.672227 -0.472162 -1.219201
C 3.621549 0.228599 1.340080
C 3.923630 0.173501 -1.098317
C 4.397597 0.525980 0.189738
C 6.463138 1.497120 -0.708063
H -5.104959 1.718618 -0.662874
H -5.119398 1.443149 1.092257
H -4.485286 -0.991364 0.713309
H -4.472009 -0.719379 -1.032878
H -6.945207 0.003037 -0.946657
H -6.956719 -0.276241 0.805084
H -2.598081 0.984894 -0.759680
H -2.638686 0.755384 0.988437
H -8.814124 1.309967 0.149804
H -7.623178 2.430961 -0.570294
H -7.631860 2.150755 1.193353
H 0.445824 -1.973349 -1.202306
H 0.365546 -2.205417 0.570489
H 1.787809 -0.643404 2.090392
H 2.305188 -0.740461 -2.217370
H 4.013374 0.508959 2.322377
H 4.508536 0.391096 -1.996765
H 5.949350 2.196529 -1.395965
H 6.765360 0.586548 -1.261268
H 7.352270 1.983428 -0.281025


