%chk=000125927.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125927

0 1
 O   0.3329000       1.634500       2.172300    
 O   -1.986800     -0.1632000      3.0099999E-02
 O    1.224500       1.397700     -0.6024000    
 O    1.387600     -0.8950000       1.197700    
 O  -0.4760000       4.287400     -0.1542000    
 O   0.5983000       1.182400      -2.815600    
 O   -4.343000      -2.765500     -0.6151000    
 O    3.325100      -3.490600     -0.3019000    
 O   -4.644300     -0.5620000      3.1999999E-03
 O    3.959700      -1.568100      0.8070000    
 C  -0.5637000     -6.8599999E-02  2.4200000E-02
 C  -0.1459000       1.389500     -0.2054000    
 C  -7.6000001E-03 -0.6316000       1.336900    
 C  -0.3427000       2.236500       1.062900    
 C  -0.1846000      0.3437000       2.497800    
 C   0.1970000       3.655300      0.9194000    
 C   -2.418700      -1.474600     -0.2983000    
 C    1.616800      -2.098000      0.4804000    
 C    1.450900       1.286300      -1.944200    
 C   -3.924100      -1.511000     -0.2757000    
 C  -2.1600001E-02   5.622100     -0.3480000    
 C    3.101800      -2.321000      0.3666000    
 C    2.925400       1.309800      -2.211200    
 C   -5.761400      -2.955900     -0.6378000    
 C    4.700400      -3.840300     -0.4886000    
 H  -0.1962000     -0.6383000     -0.8347000    
 H  -0.7762000       1.830200     -0.9895000    
 H  -0.5065000      -1.557900       1.639800    
 H   -1.415600       2.293600       1.291900    
 H   0.3678000     -7.4999998E-03   3.375700    
 H   -1.239600      0.4410000       2.778600    
 H   2.4700001E-02   4.210000       1.850200    
 H    1.279700       3.646300      0.7434000    
 H   -2.087300      -1.730100      -1.310700    
 H   -2.056300      -2.209700      0.4244000    
 H    1.184200      -2.942400       1.027800    
 H    1.216600      -2.049000     -0.5346000    
 H  -0.5768000       6.056000      -1.183900    
 H    1.044700       5.630700     -0.5939000    
 H  -0.2081000       6.223800      0.5467000    
 H    3.349800       2.254700      -1.862700    
 H    3.100800       1.224400      -3.287400    
 H    3.405100      0.4642000      -1.711700    
 H   -5.960700      -3.992700     -0.9215000    
 H   -6.220400      -2.294500      -1.378900    
 H   -6.183500      -2.776200      0.3555000    
 H    5.208700      -3.074000      -1.081500    
 H    5.192800      -3.970300      0.4799000    
 H    4.739500      -4.787900      -1.032300    


%chk=000125927-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125927

0 1
O 0.727929 2.076525 2.472399
O -2.085809 0.095801 0.827858
O 1.053720 1.542238 -0.525872
O 1.275503 -0.926480 1.980450
O -0.359438 4.474553 -0.085542
O -0.133680 0.738048 -2.364321
O -3.569358 -2.438124 -1.350994
O 2.551821 -3.713696 0.105352
O -1.855141 -2.682617 0.206396
O 1.837162 -1.692550 -0.800823
C -0.604648 0.149914 0.703387
C -0.232834 1.579531 0.223437
C -0.046640 -0.278597 2.087434
C -0.102143 2.588608 1.372947
C 0.103632 0.891290 3.068950
C 0.521850 3.917915 0.946821
C -2.734790 -0.423421 -0.366935
C 1.242856 -2.316818 1.536391
C 0.956877 1.075175 -1.839923
C -2.643963 -1.951573 -0.435664
C 0.171595 5.708967 -0.655449
C 1.888917 -2.487440 0.162069
C 2.313073 1.011559 -2.494897
C -3.559222 -3.906547 -1.573182
C 3.169118 -4.056283 -1.199399
H -0.257274 -0.575716 -0.053075
H -1.016735 1.928164 -0.472795
H -0.777702 -1.002798 2.504187
H -1.136761 2.770205 1.745050
H 0.762014 0.593752 3.899894
H -0.904215 1.157339 3.457810
H 0.579591 4.596689 1.823224
H 1.540925 3.744083 0.547523
H -3.793951 -0.123732 -0.316164
H -2.287548 -0.004575 -1.293283
H 1.806344 -2.924391 2.265112
H 0.205362 -2.703937 1.464811
H -0.550773 6.033213 -1.421082
H 1.162749 5.542909 -1.128923
H 0.273224 6.503053 0.115147
H 2.994630 1.768304 -2.077090
H 2.210406 1.136456 -3.583823
H 2.733046 0.011262 -2.286946
H -4.338035 -4.079811 -2.328146
H -3.790159 -4.433858 -0.632644
H -2.570052 -4.227868 -1.939779
H 2.409968 -4.037892 -1.999472
H 3.968850 -3.335745 -1.439622
H 3.576909 -5.066882 -1.060101


