%chk=000066650.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066650

0 1
 O    4.344300      0.7678000      0.9259000    
 O   -6.417900     -0.5262000     -0.4212000    
 C    2.151700     -0.2092000      0.3157000    
 C    1.322800       1.102800      0.5547000    
 C  -0.1329000       1.042600      2.4700001E-02
 C    3.541600      0.3219000     -0.1718000    
 C  -0.7725000     -0.3233000      0.3446000    
 C    1.441300      -1.086400     -0.7491000    
 C    2.113000       2.242100     -0.1259000    
 C    3.177700       1.565200     -0.9794000    
 C  -1.4100000E-02  -1.434600     -0.4114000    
 C    2.292500      -1.019500       1.623100    
 C  -0.9888000       2.171100      0.6140000    
 C   -2.278400     -0.3621000      0.1171000    
 C   -2.366300       2.178800     -4.0800001E-02
 C   -3.023900      0.8233000     -3.6800001E-02
 C    3.133400      -2.253800       1.400400    
 C    4.319100     -0.6320000     -0.9740000    
 C   -2.965300      -1.589700      0.1362000    
 C   -4.413200      0.7532000     -0.2326000    
 C   -4.347600      -1.645800     -4.6100002E-02
 C   -5.070900     -0.4747000     -0.2377000    
 C    4.954100      -1.411800      -1.629600    
 H    1.287400       1.319500       1.631300    
 H  -0.1195000       1.175200      -1.067800    
 H  -0.6516000     -0.4979000       1.423200    
 H    1.978300      -2.007600     -0.9918000    
 H    1.421500     -0.5357000      -1.700000    
 H    2.583500       2.872300      0.6386000    
 H    1.492500       2.904200     -0.7380000    
 H    2.766900       1.312100      -1.964000    
 H    4.030200       2.236500      -1.133400    
 H  -0.5220000      -1.681200      -1.353200    
 H  -3.3500001E-02  -2.352800      0.1896000    
 H    1.314700      -1.328000       2.005600    
 H    2.737600     -0.4161000       2.422800    
 H  -0.5174000       3.148100      0.4611000    
 H   -1.092100       2.034400       1.698600    
 H   -2.277200       2.515000      -1.081400    
 H   -2.998900       2.902100      0.4876000    
 H    2.746600      -2.936200      0.6422000    
 H    4.180600      -2.025500       1.193700    
 H    3.145700      -2.832100       2.333200    
 H    3.810700       1.324500       1.515600    
 H   -2.428700      -2.521400      0.2968000    
 H   -4.986500       1.666800     -0.3759000    
 H   -4.845700      -2.611500     -3.4200002E-02
 H    5.516600      -2.104500      -2.210700    
 H   -6.704600      -1.455300     -0.3941000    


%chk=000066650-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066650

0 1
O 4.485397 0.636000 0.889113
O -6.507803 -0.490435 -0.472289
C 2.152714 -0.229223 0.330854
C 1.317245 1.101134 0.590500
C -0.136343 1.043139 0.037128
C 3.549841 0.305622 -0.225745
C -0.780733 -0.327845 0.365602
C 1.435692 -1.076603 -0.758771
C 2.137900 2.280121 -0.031764
C 3.169363 1.615089 -0.972322
C -0.010693 -1.475533 -0.367723
C 2.323843 -1.036627 1.652859
C -1.010598 2.183756 0.603365
C -2.294019 -0.360962 0.113072
C -2.390929 2.200898 -0.082752
C -3.058271 0.828862 -0.075267
C 3.171427 -2.323782 1.566797
C 4.295321 -0.630198 -1.081866
C -2.978006 -1.603207 0.107838
C -4.456641 0.746083 -0.269015
C -4.371939 -1.691214 -0.083185
C -5.112143 -0.501032 -0.275696
C 4.922742 -1.372251 -1.837614
H 1.228080 1.243175 1.688239
H -0.101709 1.162075 -1.068643
H -0.637624 -0.472925 1.460955
H 2.021628 -1.986300 -0.980659
H 1.405830 -0.501977 -1.704928
H 2.650578 2.870870 0.754492
H 1.493304 2.993731 -0.575933
H 2.710365 1.370140 -1.946533
H 4.066663 2.227704 -1.163983
H -0.558916 -1.755056 -1.287638
H 0.011683 -2.378201 0.272342
H 1.314729 -1.287214 2.035655
H 2.781836 -0.370230 2.409248
H -0.514407 3.164113 0.466433
H -1.135932 2.033527 1.695787
H -2.268299 2.539138 -1.133290
H -3.056405 2.939800 0.402980
H 2.747825 -3.056610 0.856034
H 4.202369 -2.094804 1.249760
H 3.220776 -2.812034 2.557834
H 4.133566 1.439379 1.353067
H -2.411125 -2.528661 0.259035
H -5.054371 1.652986 -0.411978
H -4.872358 -2.668521 -0.079391
H 5.472399 -2.030239 -2.484676
H -6.869050 -1.411056 -0.451929


