%chk=000164842.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164842

0 1
 O    3.149300       1.489600     -0.3926000    
 O    4.423100     -0.1758000      0.7488000    
 O  -0.2346000      -1.785000     -0.4425000    
 O   -1.355800       2.880400      0.4204000    
 O   -1.856600      -3.408100     -0.5045000    
 C    2.645600     -0.8791000     -0.7086000    
 C    3.739700      0.1715000     -0.4708000    
 C    1.447000     -6.8599999E-02 -0.3798000    
 C    3.003500      -1.985100      0.2566000    
 C    1.807700       1.260200     -0.2362000    
 C   0.1174000     -0.4301000     -0.2599000    
 C    3.718500      -1.254200       1.372600    
 C  -0.8539000      0.5378000      2.2500001E-02
 C   -2.225200      8.3800003E-02  0.1407000    
 C   -3.421800      0.9185000      0.4431000    
 C   -2.543800      -1.200400     -3.2800000E-02
 C   -4.487400     -0.1396000      0.7546000    
 C   -4.003600      -1.447100      0.1197000    
 C  -0.4637000       1.880300      0.1671000    
 C   0.8789000       2.249900      3.2800000E-02
 C   -1.552000      -2.232700     -0.3433000    
 C   -1.932500       3.533500     -0.7079000    
 H    2.597900      -1.206900      -1.752000    
 H    4.483000      0.1719000      -1.275700    
 H    3.711200      -2.666300     -0.2315000    
 H    2.158600      -2.576800      0.6181000    
 H    3.012100     -0.8313000       2.095200    
 H    4.424600      -1.893900       1.909100    
 H   -3.294500       1.573800       1.309200    
 H   -3.728000       1.504000     -0.4283000    
 H   -4.571200     -0.2685000       1.841900    
 H   -5.477100      0.1531000      0.3887000    
 H   -4.469900      -1.609500     -0.8578000    
 H   -4.221600      -2.301700      0.7671000    
 H    1.187100       3.285300      0.1377000    
 H   -2.121200       2.840200      -1.534200    
 H   -1.261200       4.328000      -1.048300    
 H   -2.878800       3.986400     -0.3997000    


%chk=000164842-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164842

0 1
O 3.036571 1.404017 -0.693241
O 4.613422 -0.136483 0.354609
O -0.272697 -1.934312 -0.316811
O -1.671277 2.736208 -0.101337
O -1.772394 -3.696624 -0.223538
C 2.596396 -1.042123 -0.662703
C 3.734753 0.041928 -0.757671
C 1.349383 -0.202004 -0.490514
C 2.998397 -1.878945 0.593574
C 1.674109 1.165151 -0.506921
C 0.005918 -0.567055 -0.328559
C 3.858696 -0.892298 1.403685
C -1.027991 0.421389 -0.181097
C -2.376706 -0.071404 -0.002906
C -3.668930 0.713405 0.180476
C -2.651314 -1.435453 -0.010645
C -4.700209 -0.365133 0.637004
C -4.131086 -1.730651 0.143702
C -0.630988 1.806597 -0.221694
C 0.717495 2.192687 -0.380415
C -1.645371 -2.456472 -0.184462
C -1.325943 4.161593 -0.155793
H 2.546171 -1.676024 -1.563072
H 4.345663 0.085959 -1.669461
H 3.603962 -2.749405 0.286775
H 2.113628 -2.241509 1.139866
H 3.246627 -0.186181 1.996565
H 4.617379 -1.362297 2.046486
H -3.558049 1.542457 0.897315
H -3.954475 1.179972 -0.783446
H -4.758523 -0.369531 1.740925
H -5.713968 -0.163983 0.250543
H -4.565746 -2.032353 -0.830392
H -4.324173 -2.561217 0.844854
H 1.034001 3.236189 -0.411253
H -0.858036 4.420470 -1.124369
H -0.649654 4.440390 0.674303
H -2.284240 4.690543 -0.050883


