%chk=000028313.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028313

0 1
 O    3.138500       1.063100     -2.4000001E-03
 O   7.5700000E-02  -1.540200     -0.7380000    
 O    1.401000      0.7151000      -1.471700    
 O  -0.3399000      -1.086100       1.518800    
 C    4.140200       3.180100      0.6005000    
 C    3.075800       2.464000     -0.2355000    
 C    5.548800       2.712000      0.2288000    
 C    4.021800       4.693200      0.4312000    
 C    2.408600      -1.135600     -0.3562000    
 C    2.240800      0.3020000     -0.6874000    
 C    1.319200      -1.982500     -0.3981000    
 C    3.670100      -1.580700     -1.2400000E-02
 C    1.497900      -3.329500     -8.3400004E-02
 C    3.848900      -2.927800      0.3022000    
 C    2.762700      -3.802200      0.2667000    
 C   -4.271600      0.2687000      0.3160000    
 C  -0.6890000      -1.101000      0.3486000    
 C   -2.926500     -0.1950000      0.6989000    
 C   -2.005900     -0.6521000     -0.1617000    
 C   -4.513800      0.6421000     -0.9959000    
 C   -5.268900      0.3202000       1.276300    
 C   -5.788100       1.078800      -1.357600    
 C   -6.543300      0.7570000      0.9146000    
 C   -6.803000       1.136300     -0.4023000    
 H    3.980000       2.929900       1.657000    
 H    2.079900       2.827800      4.5499999E-02
 H    3.234300       2.663500      -1.302600    
 H    5.669600       1.638700      0.4079000    
 H    5.765500       2.906100     -0.8272000    
 H    6.301600       3.233300      0.8297000    
 H    4.183700       4.991200     -0.6103000    
 H    3.028500       5.041700      0.7331000    
 H    4.760100       5.213000       1.050800    
 H    4.536500     -0.9264000      8.8999998E-03
 H   0.6568000      -4.017100     -0.1097000    
 H    4.834200      -3.296900      0.5714000    
 H    2.902000      -4.851300      0.5107000    
 H   -2.707400     -0.1582000       1.763800    
 H   -2.171600     -0.7383000      -1.228900    
 H   -3.749900      0.6339000      -1.766800    
 H   -5.082800      2.6500000E-02   2.306000    
 H   -5.989700       1.379100      -2.381800    
 H   -7.333600      0.8017000       1.658300    
 H   -7.794900       1.477500     -0.6837000    


%chk=000028313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028313

0 1
O 3.214630 1.049934 0.289757
O 0.027250 -1.827785 -0.514994
O 1.015092 0.826230 -0.424675
O -0.357753 -0.932053 1.631939
C 4.375199 3.173782 0.622314
C 3.028777 2.529149 0.266629
C 5.457683 2.847350 -0.431321
C 4.178470 4.701532 0.774263
C 2.386859 -1.171947 -0.014651
C 2.096430 0.291237 -0.075590
C 1.376629 -2.153472 -0.233023
C 3.716457 -1.625390 0.208896
C 1.692421 -3.527589 -0.252460
C 4.035722 -2.996197 0.197296
C 3.020275 -3.951964 -0.042900
C -4.333325 0.303294 0.154477
C -0.754418 -1.123026 0.464062
C -3.005570 -0.132159 0.604387
C -2.044894 -0.762340 -0.138977
C -4.799873 0.127863 -1.181861
C -5.199476 0.931192 1.095836
C -6.085008 0.563314 -1.556278
C -6.487113 1.367190 0.720834
C -6.935473 1.184483 -0.607716
H 4.696090 2.760275 1.599639
H 2.238600 2.787003 0.996040
H 2.681301 2.827063 -0.741167
H 5.583358 1.756819 -0.547597
H 5.182363 3.268151 -1.417996
H 6.432178 3.279756 -0.139075
H 3.832394 5.152836 -0.175512
H 3.436146 4.942627 1.557845
H 5.131772 5.188021 1.048256
H 4.490922 -0.874959 0.385051
H 0.884026 -4.243645 -0.427109
H 5.067580 -3.318617 0.369936
H 3.257832 -5.021046 -0.059105
H -2.753841 0.072564 1.655645
H -2.168539 -1.012546 -1.196251
H -4.153937 -0.347308 -1.927995
H -4.852104 1.073917 2.126495
H -6.429178 0.422336 -2.586807
H -7.138347 1.847483 1.459128
H -7.934806 1.522242 -0.903566


