%chk=000085455.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085455

0 1
 O    4.264800      0.1764000     -2.5000000E-02
 O    5.596500      -1.689400      0.1849000    
 C   -3.275900      0.4236000      1.9200001E-02
 C   -2.012700     -0.4379000      0.1177000    
 C   -4.570000     -0.3853000      0.1327000    
 C  -0.6843000      0.3252000      9.0300001E-02
 C   -5.833300      0.4642000     -4.4199999E-02
 C   0.5803000     -0.5374000      0.1323000    
 C   -7.159300     -0.3026000     -2.9800000E-02
 C    1.871600      0.2698000      1.6000001E-02
 C   -8.386300      0.6008000     -0.1534000    
 C    3.099600     -0.6266000      0.1039000    
 C   -9.674200     -0.2084000     -0.1414000    
 C    5.458700     -0.4838000      3.3300001E-02
 C    6.582200      0.4829000     -0.1145000    
 C    6.431300       1.896000      0.3595000    
 C    7.711100      3.2499999E-02 -0.6814000    
 H   -3.256800       1.182700      0.8106000    
 H   -3.264200      0.9620000     -0.9364000    
 H   -2.018200      -1.163000     -0.7059000    
 H   -2.055100      -1.023700       1.044800    
 H   -4.566200      -1.175900     -0.6278000    
 H   -4.604900     -0.8846000       1.108500    
 H  -0.6634000       1.025600      0.9346000    
 H  -0.6588000      0.9384000     -0.8196000    
 H   -5.855200       1.223200      0.7482000    
 H   -5.760300       1.011000     -0.9931000    
 H   0.5392000      -1.269800     -0.6834000    
 H   0.5878000      -1.108100       1.069100    
 H   -7.157600      -1.030700     -0.8504000    
 H   -7.226200     -0.8775000      0.9022000    
 H    1.917300       1.028000      0.8076000    
 H    1.888600      0.8230000     -0.9312000    
 H   -8.403000       1.319600      0.6739000    
 H   -8.330200       1.177300      -1.084000    
 H    3.118000      -1.144200       1.070200    
 H    3.079200      -1.370600     -0.7013000    
 H   -9.701200     -0.9156000     -0.9765000    
 H   -10.53960      0.4557000     -0.2306000    
 H   -9.774000     -0.7732000      0.7910000    
 H    5.691000       2.428700     -0.2460000    
 H    6.104600       1.913200       1.404400    
 H    7.373300       2.451500      0.2991000    
 H    8.566800      0.6861000     -0.8187000    
 H    7.816100     -0.9903000      -1.028200    


%chk=000085455-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085455

0 1
O 4.310898 0.199035 -0.003204
O 5.629514 -1.722557 0.001991
C -3.277285 0.425259 0.000033
C -2.017756 -0.469977 -0.001872
C -4.597562 -0.378018 0.000201
C -0.696981 0.332051 -0.001987
C -5.858697 0.515212 0.002378
C 0.559342 -0.567619 -0.003888
C -7.178663 -0.288642 0.002081
C 1.877271 0.242503 -0.003060
C -8.440241 0.604854 0.004558
C 3.100351 -0.674008 -0.006286
C -9.753981 -0.206685 0.004211
C 5.541576 -0.468505 0.001073
C 6.686516 0.503778 0.004373
C 6.387259 1.988610 0.000595
C 7.944281 -0.018027 0.010536
H -3.253336 1.090349 0.888712
H -3.254694 1.092229 -0.887265
H -2.042795 -1.135020 -0.890504
H -2.041489 -1.136926 0.885365
H -4.621591 -1.043164 -0.888455
H -4.620054 -1.045329 0.887273
H -0.671084 0.996445 0.886794
H -0.672413 0.998394 -0.889335
H -5.835383 1.180125 0.891319
H -5.836557 1.182770 -0.884605
H 0.531440 -1.231296 -0.893128
H 0.532126 -1.234013 0.883332
H -7.203843 -0.953437 -0.886893
H -7.202463 -0.956383 0.888881
H 1.914927 0.898260 0.888200
H 1.913240 0.902836 -0.890996
H -8.414064 1.268651 0.892962
H -8.415434 1.271653 -0.881628
H 3.137599 -1.326947 0.885769
H 3.137792 -1.320390 -0.903121
H -9.818164 -0.855492 -0.889845
H -10.640268 0.454376 0.006448
H -9.816353 -0.859114 0.895759
H 5.794355 2.270874 -0.887884
H 5.783537 2.273244 0.880930
H 7.321519 2.575370 0.005340
H 8.829855 0.626570 0.013330
H 8.094853 -1.103093 0.012713


