%chk=000179451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179451

0 1
O -0.080096 -0.640017 -1.157781
O 1.429270 0.405261 0.273357
O -2.465920 2.231163 0.532598
O -2.769880 -0.546068 1.285022
O 0.448184 2.818242 -0.003241
O -0.567659 -3.466243 -0.576332
C -1.370148 1.303968 0.537576
C -2.028393 -0.043534 0.167251
C -0.320509 1.733826 -0.512017
C -0.948913 -1.114977 -0.093592
C 0.625036 0.564958 -0.887438
C -1.537288 -2.418596 -0.647697
C 2.588948 -0.487660 0.153987
C 3.706027 0.252990 -0.567169
C 2.909045 -0.809434 1.605573
H -0.929610 1.275520 1.559991
H -2.721985 0.087095 -0.694177
H -0.815290 2.162136 -1.416029
H -0.328272 -1.298034 0.813629
H 1.219037 0.721756 -1.809193
H -1.884383 -2.303918 -1.690078
H -2.363071 -2.780905 0.001243
H 2.258338 -1.389450 -0.407500
H -2.129963 3.145052 0.684338
H -3.423512 0.135494 1.575510
H 1.111184 2.483921 0.659519
H 4.660081 -0.281027 -0.482935
H 3.497222 0.380658 -1.634789
H 3.856523 1.255486 -0.144872
H 2.041431 -1.256443 2.110628
H 3.173764 0.092352 2.172185
H 3.744191 -1.514066 1.685114
H 0.199813 -3.243905 -1.148679


%chk=000179451-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179451

0 1
O -0.089063 -0.754002 -1.119516
O 1.457105 0.416698 0.347051
O -2.427798 2.285157 0.628868
O -3.023226 -0.469810 1.181040
O 0.357225 2.868418 -0.163382
O -0.603258 -3.491988 -0.727439
C -1.389369 1.256736 0.499400
C -2.105472 -0.045360 0.122016
C -0.358554 1.653712 -0.574856
C -1.064901 -1.162451 -0.057802
C 0.620796 0.490263 -0.843715
C -1.652844 -2.484779 -0.551554
C 2.692078 -0.423568 0.207104
C 3.801889 0.383205 -0.487391
C 3.058479 -0.859145 1.628505
H -0.865646 1.113903 1.469218
H -2.657053 0.119239 -0.830021
H -0.882232 1.921309 -1.508056
H -0.512218 -1.318326 0.888534
H 1.224165 0.660708 -1.754385
H -2.207318 -2.313844 -1.499070
H -2.344428 -2.884789 0.204874
H 2.417644 -1.308576 -0.401729
H -1.973235 3.159026 0.747729
H -3.570005 0.321252 1.426788
H 1.069254 2.564544 0.463816
H 4.699308 -0.247046 -0.626722
H 3.487230 0.742359 -1.483725
H 4.084393 1.258819 0.124063
H 2.238141 -1.440305 2.082499
H 3.255555 0.023284 2.263371
H 3.967284 -1.487224 1.614900
H 0.079273 -3.091818 -1.326412


