%chk=000076333.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076333

0 1
 O   -2.282500     -0.5605000     -0.4817000    
 C   -1.051500     -0.1554000      -1.081800    
 C  -0.4419000      0.9776000     -0.2367000    
 C  -0.1682000      -1.405400      -1.253200    
 C   0.9153000       1.472200     -0.7427000    
 C   0.2230000      -2.101800      6.0500000E-02
 C    1.683600       2.238500      0.3371000    
 C    1.598200      -2.785400      1.5900001E-02
 C    3.170900       2.417600      2.1000000E-02
 C    2.806400      -1.840900     -0.1105000    
 C    4.004200       1.149900     -0.2379000    
 C    2.947600     -0.8635000       1.062700    
 C    4.099300      0.1407000      0.9162000    
 C   -3.204000      0.5163000     -0.4194000    
 C   -4.503900      5.2800000E-02  0.2436000    
 C   -4.258400     -0.4292000       1.675000    
 C   -5.538100       1.176400      0.2320000    
 H   -1.267000      0.2277000      -2.088400    
 H  -0.3857000      0.6687000      0.8132000    
 H   -1.073400       1.870800     -0.2434000    
 H   0.7106000      -1.152500      -1.851500    
 H  -0.7250000      -2.138200      -1.853200    
 H   0.7759000       2.109300      -1.624400    
 H    1.513800      0.6269000      -1.072300    
 H  -0.5327000      -2.868900      0.2750000    
 H   0.1857000      -1.419100      0.9118000    
 H    1.585000       1.750600       1.312000    
 H    1.227100       3.229200      0.4566000    
 H    1.617200      -3.493300     -0.8218000    
 H    1.716700      -3.382200      0.9289000    
 H    3.630800       2.972900      0.8483000    
 H    3.260000       3.063500     -0.8621000    
 H    2.751100      -1.307000      -1.061700    
 H    3.714800      -2.454300     -0.1634000    
 H    5.027500       1.497400     -0.4380000    
 H    3.688400      0.6645000      -1.165300    
 H    3.124200      -1.448900       1.974300    
 H    2.015400     -0.3279000       1.232700    
 H    5.025200     -0.4346000      0.7855000    
 H    4.213200      0.6878000       1.860100    
 H   -3.409700      0.8839000      -1.431800    
 H   -2.839000       1.341800      0.1947000    
 H   -4.901000     -0.7974000     -0.3255000    
 H   -5.194400     -0.7591000       2.138400    
 H   -3.836800      0.3684000       2.296200    
 H   -3.564400      -1.276000       1.694100    
 H   -6.482200      0.8401000      0.6735000    
 H   -5.746700       1.502400     -0.7924000    
 H   -5.189900       2.045600      0.8004000    


%chk=000076333-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076333

0 1
O -2.330571 -0.391977 -0.266586
C -1.062692 0.017545 -0.915793
C -0.353796 1.129900 -0.096902
C -0.246993 -1.284267 -1.091342
C 1.044273 1.521343 -0.636035
C 0.227489 -1.962579 0.223479
C 1.919593 2.261156 0.403036
C 1.559166 -2.750765 0.084139
C 3.407289 2.407228 -0.015978
C 2.821159 -1.875784 -0.159108
C 4.176634 1.105964 -0.385573
C 3.161106 -0.917752 1.008695
C 4.353698 0.043011 0.737603
C -3.407245 0.601143 -0.343618
C -4.701900 -0.051026 0.174704
C -4.553383 -0.476702 1.652855
C -5.893772 0.915400 -0.020825
H -1.303612 0.417183 -1.930963
H -0.261423 0.779490 0.949820
H -1.002793 2.027262 -0.062747
H 0.621780 -1.059348 -1.738679
H -0.878670 -1.989949 -1.663759
H 0.945970 2.140588 -1.551552
H 1.578312 0.606076 -0.939682
H -0.566617 -2.645427 0.578617
H 0.341875 -1.206834 1.021641
H 1.861190 1.722182 1.369590
H 1.502741 3.271422 0.594742
H 1.464021 -3.480783 -0.746501
H 1.716311 -3.348044 1.006420
H 3.953775 2.916387 0.805143
H 3.462186 3.089427 -0.890794
H 2.692333 -1.297745 -1.096296
H 3.689639 -2.543238 -0.338270
H 5.189271 1.420662 -0.711564
H 3.718580 0.635334 -1.277841
H 3.405283 -1.531181 1.901351
H 2.265397 -0.331990 1.280565
H 5.237074 -0.580499 0.484721
H 4.611329 0.568739 1.681045
H -3.535179 0.932850 -1.400289
H -3.168552 1.497038 0.273232
H -4.874395 -0.960536 -0.435545
H -5.456402 -1.009550 2.004367
H -4.408077 0.410086 2.301078
H -3.680440 -1.139716 1.777234
H -6.833554 0.451658 0.330416
H -6.027681 1.190044 -1.084491
H -5.745027 1.848574 0.556839


