%chk=000183495.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183495

0 1
O 3.439428 -0.401208 -0.016051
O 0.785637 1.467291 -1.510602
O 2.281832 2.219230 0.006500
O -2.955445 -0.157839 1.497090
C 1.685531 -1.129540 -1.435052
C 2.654670 0.043434 -1.122574
C 2.479295 -2.290324 -2.037981
C 0.931143 -1.560062 -0.178635
C 1.930922 1.345683 -0.747180
C -0.008697 2.678688 -1.360924
C 4.606876 0.420234 0.290671
C -1.206292 2.438959 -0.482426
C -1.481940 1.175802 0.047002
C -2.057850 3.523078 -0.211818
C -2.621336 1.026709 0.843930
C 5.370324 -0.409814 1.274822
C -3.185718 3.343741 0.595975
C -3.487927 2.091528 1.132529
C -2.608900 -1.385712 0.926613
C 6.553779 -0.051464 1.764867
C -2.696244 -1.642809 -0.445915
C -2.270130 -2.373477 1.863033
C -2.430885 -2.942032 -0.887557
C -2.014830 -3.662289 1.393328
C -2.089992 -3.947338 0.023732
H 0.948083 -0.753430 -2.192819
H 3.309871 0.269697 -1.997981
H 3.276524 -2.615173 -1.354147
H 1.834946 -3.157273 -2.221578
H 2.947575 -2.020515 -2.989356
H 0.241676 -0.771427 0.166150
H 0.332659 -2.461908 -0.350711
H 1.623704 -1.772346 0.648307
H -0.303131 2.891877 -2.407871
H 0.633042 3.493635 -0.964274
H 4.243908 1.373642 0.731278
H 5.174477 0.619841 -0.633937
H -0.805250 0.332897 -0.145669
H -1.841411 4.506935 -0.620766
H 4.863877 -1.337220 1.561372
H -3.839071 4.191032 0.807593
H -4.359265 1.930196 1.762543
H 7.099245 -0.649383 2.481222
H 7.068887 0.860052 1.499443
H -2.972170 -0.857264 -1.145536
H -2.218051 -2.125675 2.921050
H -2.494882 -3.170824 -1.951308
H -1.751965 -4.450547 2.098943
H -1.887131 -4.955487 -0.330826


%chk=000183495-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183495

0 1
O 3.948606 -0.375734 -0.108766
O 0.895692 1.669492 -0.372519
O 2.541370 1.691302 1.288890
O -3.892101 -0.221510 0.610077
C 1.697151 -1.200088 -0.530356
C 2.641851 0.039022 -0.590295
C 2.209578 -2.297726 -1.489404
C 1.550247 -1.735264 0.912675
C 2.071778 1.209032 0.236564
C 0.142524 2.753190 0.334357
C 5.024551 0.612337 -0.350359
C -1.340521 2.505545 0.169301
C -1.878788 1.221864 0.427614
C -2.202165 3.567998 -0.195995
C -3.269385 1.013997 0.306624
C 6.293841 0.047814 0.229449
C -3.596744 3.350095 -0.285467
C -4.139704 2.072650 -0.039095
C -3.239654 -1.456533 0.354575
C 7.474440 -0.023355 -0.432421
C -2.433257 -1.674837 -0.787149
C -3.525638 -2.503996 1.257116
C -1.897573 -2.963104 -1.009472
C -2.987225 -3.787296 1.018175
C -2.167816 -4.022255 -0.111357
H 0.708821 -0.847548 -0.885409
H 2.700936 0.384424 -1.648303
H 3.219111 -2.627675 -1.190343
H 1.533346 -3.171989 -1.463678
H 2.260301 -1.933977 -2.533472
H 1.156451 -0.965513 1.602853
H 0.852114 -2.591451 0.929122
H 2.528605 -2.065484 1.302055
H 0.443814 3.714895 -0.115971
H 0.461423 2.743087 1.393835
H 4.762029 1.562067 0.161522
H 5.129105 0.803347 -1.440365
H -1.217503 0.397657 0.712875
H -1.787964 4.560622 -0.407108
H 6.214689 -0.292156 1.270982
H -4.261957 4.175209 -0.561269
H -5.213471 1.877243 -0.111299
H 8.379693 -0.405990 0.051324
H 7.572296 0.301505 -1.476032
H -2.238202 -0.860686 -1.492148
H -4.162289 -2.299891 2.123143
H -1.275686 -3.138128 -1.894924
H -3.206539 -4.602002 1.716889
H -1.750781 -5.018403 -0.292541


