%chk=000108769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108769

0 1
 O   -1.029700      -1.118900      0.4083000    
 O  -0.1823000       1.047900     -9.7499996E-02
 O   -2.189600     -0.5692000     -0.2867000    
 O   0.5999000       2.139000      0.4723000    
 O    3.119300      -1.513600      0.3872000    
 O    1.454900      -1.088100      -1.151300    
 C  -0.2571000      3.4000000E-03  0.8849000    
 C   -3.138500      -1.624800     -0.3217000    
 C   0.2573000       3.282900     -0.2954000    
 C    1.145900     -0.5489000       1.208800    
 C  -0.9317000      0.5042000       2.170100    
 C   -3.471100      -2.027500       1.114300    
 C   -4.383200      -1.101100      -1.035000    
 C   -2.532600      -2.798300      -1.090200    
 C   -1.245200       3.526200     -0.1613000    
 C    1.045300       4.465400      0.2642000    
 C   0.6394000       3.023700      -1.751900    
 C    1.889000      -1.068000     -8.0000004E-03
 C    3.946000      -2.043800     -0.6537000    
 C    5.263900      -2.490500     -5.7500001E-02
 H    1.057300      -1.386400       1.911800    
 H    1.768700      0.2329000       1.658700    
 H   -1.910500      0.9417000       1.943300    
 H  -0.3416000       1.281000       2.666800    
 H   -1.097400     -0.3166000       2.876200    
 H   -2.616400      -2.473700       1.634600    
 H   -3.776600      -1.154800       1.702800    
 H   -4.285300      -2.760100       1.139400    
 H   -4.138700     -0.7667000      -2.049800    
 H   -4.793100     -0.2290000     -0.5126000    
 H   -5.164700      -1.864900      -1.100400    
 H   -2.169000      -2.474000      -2.072100    
 H   -1.676400      -3.242300     -0.5705000    
 H   -3.270400      -3.593800      -1.242000    
 H   -1.842600       2.728200     -0.6157000    
 H   -1.539000       3.576000      0.8935000    
 H   -1.537000       4.465600     -0.6436000    
 H    2.123300       4.274000      0.2133000    
 H   0.8093000       4.624500       1.322700    
 H   0.8312000       5.390100     -0.2815000    
 H    1.687900       2.713400      -1.829700    
 H   4.2399999E-02   2.225100      -2.206000    
 H   0.5002000       3.922500      -2.362600    
 H    4.124600      -1.269500      -1.408200    
 H    3.442600      -2.897700      -1.120600    
 H    5.771000      -1.650800      0.4292000    
 H    5.100200      -3.252100      0.7121000    
 H    5.922000      -2.902200     -0.8276000    


%chk=000108769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108769

0 1
O -0.513504 -0.974400 0.908740
O -0.552337 1.220084 0.176683
O -2.028712 -1.117388 1.163288
O -0.208294 2.683195 0.586636
O 2.643900 -1.734656 0.625621
O 1.973368 -0.308015 -1.086916
C -0.076559 0.360134 1.293544
C -2.637652 -1.756600 -0.056815
C -0.063680 3.472834 -0.684067
C 1.476903 0.250620 1.283237
C -0.628636 0.827409 2.642352
C -2.016335 -3.150882 -0.273559
C -4.109529 -1.850510 0.405850
C -2.476903 -0.846014 -1.286973
C -1.350754 3.352579 -1.524411
C 0.104298 4.895925 -0.104433
C 1.185179 3.012278 -1.459168
C 2.025271 -0.581684 0.134296
C 3.203411 -2.664081 -0.403154
C 3.822720 -3.834853 0.353120
H 1.819175 -0.180291 2.236204
H 1.845498 1.287846 1.190913
H -1.722697 0.922707 2.577517
H -0.198629 1.807462 2.902839
H -0.376119 0.090920 3.423829
H -0.940230 -3.060456 -0.498003
H -2.134857 -3.772465 0.631149
H -2.509033 -3.660970 -1.121470
H -4.528478 -0.846299 0.589678
H -4.193424 -2.446193 1.331298
H -4.706258 -2.341291 -0.383685
H -2.900452 0.152773 -1.086068
H -1.411717 -0.718671 -1.541449
H -2.999051 -1.290438 -2.154494
H -1.471032 2.324901 -1.904811
H -2.234540 3.606470 -0.913216
H -1.305893 4.043269 -2.386280
H 0.965057 4.939867 0.585842
H -0.802790 5.211932 0.438840
H 0.287277 5.603817 -0.932605
H 2.103670 3.227256 -0.882532
H 1.147030 1.927350 -1.653293
H 1.253017 3.545271 -2.425513
H 3.941982 -2.109650 -1.010439
H 2.378526 -2.976738 -1.069050
H 4.631673 -3.490371 1.019972
H 3.064258 -4.351821 0.965344
H 4.247782 -4.561762 -0.362987


