%chk=000164778.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164778

0 1
 O    4.046400      0.7445000       1.230700    
 O   -6.280800     -0.8860000      0.5771000    
 C    1.991200     -2.3700001E-02  0.1223000    
 C    1.098900       1.166100      0.6151000    
 C  -0.3118000       1.241000     -3.0300001E-02
 C  -0.9244000     -0.1613000     -0.2096000    
 C    3.403100      0.6287000     -4.2599998E-02
 C    1.424400     -0.5767000      -1.207700    
 C    1.903900       2.455500      0.3334000    
 C  -3.4899998E-02  -1.031600      -1.122200    
 C    3.084100       2.038000     -0.5348000    
 C   -2.394100     -0.1312000     -0.7308000    
 C   -1.233400       2.131300      0.8223000    
 C    2.029000      -1.159300       1.170000    
 C   -2.625100       2.236900      0.2152000    
 C   -3.245300      0.8794000      1.6899999E-02
 C   -2.998500      -1.550000     -0.6660000    
 C    2.941600      -2.281800      0.7088000    
 C    4.298400     -8.7200001E-02 -0.9602000    
 C   -4.501100      -1.549300     -0.8859000    
 C   -4.492800      0.6352000      0.4484000    
 C   -5.171100     -0.6381000      0.1107000    
 C    2.961800      -3.408300       1.729500    
 C    5.030700     -0.6720000      -1.710400    
 H   0.9739000       1.088800       1.704200    
 H  -0.2265000       1.701900      -1.025300    
 H  -0.9437000     -0.6283000      0.7859000    
 H    2.022100      -1.383100      -1.641400    
 H    1.464500      0.2185000      -1.965100    
 H    2.270700       2.865200       1.282900    
 H    1.322400       3.245700     -0.1515000    
 H  -0.4334000      -1.052400      -2.144500    
 H  -7.2099999E-02  -2.069000     -0.7666000    
 H    2.796500       2.048900      -1.592800    
 H    3.920100       2.734900     -0.4080000    
 H   -2.384200      0.1901000      -1.782300    
 H  -0.8108000       3.138400      0.9142000    
 H   -1.308900       1.726500       1.840300    
 H    1.025800      -1.559300       1.351500    
 H    2.367400     -0.7818000       2.143100    
 H   -2.563700       2.741000     -0.7576000    
 H   -3.247200       2.871100      0.8584000    
 H   -2.786800      -1.997700      0.3147000    
 H   -2.529400      -2.197000      -1.416100    
 H    3.977400      -1.952900      0.6205000    
 H    2.631100      -2.719300     -0.2422000    
 H    4.864500       1.257000       1.112000    
 H   -4.889600      -2.564600     -0.7512000    
 H   -4.756600      -1.212100      -1.896100    
 H   -5.072000       1.374700      0.9902000    
 H    3.315400      -3.052900       2.703000    
 H    1.963000      -3.836600       1.862200    
 H    3.631300      -4.209000       1.399000    
 H    5.679400      -1.191900      -2.375700    


%chk=000164778-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164778

0 1
O 4.126341 0.680768 1.148611
O -6.501640 -0.788272 0.290661
C 2.014839 -0.034359 0.104529
C 1.117499 1.155643 0.657127
C -0.298737 1.237832 0.007144
C -0.923204 -0.172569 -0.163086
C 3.417879 0.651753 -0.163997
C 1.414530 -0.538124 -1.235697
C 1.940842 2.470379 0.455081
C -0.026095 -1.077726 -1.068569
C 3.048235 2.108925 -0.557694
C -2.393271 -0.148098 -0.704396
C -1.226884 2.134293 0.859154
C 2.108858 -1.178165 1.157763
C -2.637139 2.251383 0.235011
C -3.268992 0.896156 -0.014757
C -3.021418 -1.563624 -0.615146
C 2.937765 -2.422456 0.767453
C 4.285875 0.008434 -1.167899
C -4.529508 -1.570167 -0.939461
C -4.577439 0.650579 0.317337
C -5.297060 -0.585025 -0.055529
C 2.980837 -3.459897 1.911130
C 5.067509 -0.459055 -1.999203
H 0.961048 0.983617 1.741035
H -0.203843 1.703832 -0.999913
H -0.968196 -0.617510 0.856064
H 2.054488 -1.324528 -1.674317
H 1.407628 0.292364 -1.968632
H 2.403818 2.778969 1.408622
H 1.314339 3.308019 0.097198
H -0.482328 -1.161487 -2.075647
H 0.005324 -2.104832 -0.659255
H 2.671652 2.130419 -1.596961
H 3.929398 2.774594 -0.510425
H -2.330291 0.147624 -1.779219
H -0.790181 3.144769 0.974660
H -1.309884 1.702080 1.877622
H 1.077840 -1.501907 1.408336
H 2.536929 -0.749611 2.082683
H -2.540874 2.777431 -0.740469
H -3.299217 2.871971 0.866354
H -2.873221 -1.943940 0.416118
H -2.489623 -2.256384 -1.292510
H 3.968224 -2.112250 0.513700
H 2.516680 -2.899700 -0.140111
H 5.011341 1.105049 1.004753
H -4.973889 -2.573959 -0.820353
H -4.691635 -1.268573 -1.996026
H -5.173687 1.409813 0.840415
H 3.435889 -3.023904 2.820378
H 1.963236 -3.804881 2.178339
H 3.574823 -4.348739 1.628467
H 5.735393 -0.892054 -2.720871


