%chk=000114487.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114487

0 1
 O    2.143700      0.1677000     -0.1545000    
 O  -0.2620000       1.312200      0.7755000    
 O   -2.664500      0.2974000     -0.1663000    
 O   -4.111500      -1.453000      0.2610000    
 C    4.534200      0.3055000     -0.1458000    
 C  -0.2662000      0.2448000     -0.1754000    
 C   0.9737000     -0.6136000      4.7100000E-02
 C    3.323300     -0.5869000      8.6999997E-02
 C    5.841600     -0.4481000      8.1400000E-02
 C   -1.543900     -0.5594000      2.6400000E-02
 C    7.048400      0.4345000     -0.1941000    
 C   -3.888200     -0.2854000     -1.7400000E-02
 C   -4.916300      0.7488000     -0.2549000    
 C   -6.212400      0.4357000     -0.1700000    
 H    4.498400      0.7037000      -1.167700    
 H    4.477600       1.177600      0.5175000    
 H  -0.2527000      0.7100000      -1.167300    
 H   0.9806000     -0.9960000       1.075400    
 H   0.9755000      -1.460100     -0.6494000    
 H    3.353500      -1.446700     -0.5926000    
 H    3.321200     -0.9528000       1.120500    
 H    5.884300      -1.326600     -0.5730000    
 H    5.887700     -0.8107000       1.114800    
 H   -1.581900     -0.9559000       1.048400    
 H   -1.587100      -1.388600     -0.6893000    
 H    7.049600      0.7854000      -1.231000    
 H    7.053400       1.308700      0.4648000    
 H    7.973700     -0.1247000     -2.3700001E-02
 H   0.5680000       1.804600      0.6554000    
 H   -4.604100       1.758400     -0.4972000    
 H   -6.966800       1.195700     -0.3445000    
 H   -6.556100     -0.5643000      7.0299998E-02


%chk=000114487-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114487

0 1
O 2.110248 0.029372 -0.148614
O -0.048147 1.195903 1.051453
O -2.675005 0.314854 -0.180100
O -4.208342 -1.264833 0.605637
C 4.525113 0.286522 -0.171701
C -0.264689 0.169510 0.027557
C 0.920072 -0.812930 0.027725
C 3.375197 -0.710438 -0.006132
C 5.911903 -0.386891 -0.045803
C -1.576294 -0.536411 0.344661
C 7.070628 0.621478 -0.201618
C -3.971196 -0.171534 0.034234
C -4.965228 0.789103 -0.510273
C -6.298099 0.541065 -0.432136
H 4.432960 0.777362 -1.159695
H 4.423553 1.081490 0.592500
H -0.330073 0.636335 -0.978077
H 0.979501 -1.356062 0.996681
H 0.834491 -1.548372 -0.801204
H 3.428560 -1.506746 -0.781253
H 3.412194 -1.197498 0.994051
H 6.008374 -1.182216 -0.812671
H 5.991206 -0.890120 0.939388
H -1.700464 -0.657211 1.434769
H -1.640755 -1.530202 -0.137680
H 7.033507 1.118575 -1.188946
H 7.016242 1.409069 0.572951
H 8.052985 0.123597 -0.109790
H 0.887959 1.510178 0.933701
H -4.562016 1.698771 -0.966831
H -7.036022 1.246370 -0.827914
H -6.663664 -0.380191 0.036531


