%chk=000198512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198512

0 1
O -0.405952 1.281995 -0.629232
O 1.313070 -0.289844 -0.629483
O -0.907698 -0.992646 -0.629349
C 0.945869 1.034261 -0.198984
C -1.369050 0.301867 -0.198869
C 0.422700 -1.336715 -0.199128
C 1.821425 1.992099 -0.990567
C -2.636407 0.581331 -0.990356
C 0.814281 -2.573864 -0.990855
C 2.679007 2.931131 -0.122202
C -3.878341 0.854922 -0.121909
C 1.199399 -3.785996 -0.122639
C 1.807565 3.851794 0.739480
C 3.674227 2.146518 0.740063
C -4.240219 -0.359893 0.740013
C -3.696184 2.109278 0.740121
C 2.432784 -3.491374 0.738492
C 0.022783 -4.255899 0.740152
H 0.999819 1.093240 0.903675
H -1.447033 0.318900 0.903801
H 0.447003 -1.412974 0.903525
H 2.472133 1.395037 -1.667901
H 1.168540 2.586154 -1.668476
H -2.444577 1.443232 -1.667870
H -2.824666 -0.281181 -1.668118
H -0.028428 -2.839043 -1.667769
H 1.654796 -2.305337 -1.669203
H 3.267286 3.574930 -0.827657
H -4.730030 1.042546 -0.827348
H 1.462685 -4.617295 -0.828218
H 1.240009 3.296421 1.493113
H 1.080035 4.398181 0.128076
H 2.416420 4.591372 1.270103
H 3.172030 1.531469 1.493738
H 4.355720 2.819726 1.270772
H 4.284283 1.471125 0.129076
H -3.475584 -0.573707 1.493766
H -4.349753 -1.263261 0.128796
H -5.185158 -0.202136 1.270531
H -2.912392 1.981925 1.493760
H -4.619858 2.363124 1.270861
H -3.416214 2.975146 0.128954
H 2.235754 -2.722291 1.492292
H 3.269346 -3.134218 0.126724
H 2.769356 -4.388400 1.268873
H -0.258656 -3.513533 1.493944
H 0.265541 -5.182618 1.270774
H -0.867365 -4.446799 0.129559


%chk=000198512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198512

0 1
O -0.510600 1.591187 -0.934225
O 0.982764 -0.252933 -0.497633
O -1.398648 -0.621575 -0.571654
C 0.750892 1.191391 -0.294054
C -1.632991 0.814986 -0.372269
C -0.131761 -1.023517 0.071284
C 1.884610 1.978917 -0.944482
C -2.895559 1.253339 -1.102966
C 0.051532 -2.512538 -0.194826
C 3.092036 2.312521 -0.023656
C -4.250224 0.724505 -0.548828
C 1.249088 -3.213888 0.510311
C 2.708212 3.298484 1.107648
C 3.780175 1.048418 0.543959
C -4.496373 -0.769533 -0.870319
C -4.423263 1.002687 0.965119
C 2.606892 -2.920234 -0.172028
C 1.311861 -2.905108 2.026758
H 0.648968 1.366818 0.805004
H -1.663423 1.012196 0.726722
H -0.207865 -0.775646 1.157948
H 2.222763 1.397645 -1.822124
H 1.445230 2.920579 -1.323283
H -2.896153 2.360184 -1.068832
H -2.781318 0.960998 -2.163354
H -0.892494 -2.993533 0.127712
H 0.126114 -2.647324 -1.289863
H 3.829282 2.829987 -0.672757
H -5.030390 1.309122 -1.081308
H 1.054925 -4.302302 0.403776
H 1.992206 2.844333 1.819502
H 2.243672 4.216188 0.701035
H 3.601941 3.596003 1.686939
H 3.104505 0.492421 1.220319
H 4.686845 1.320584 1.115919
H 4.076052 0.356646 -0.265774
H -3.739705 -1.407514 -0.383274
H -4.435351 -0.956346 -1.958472
H -5.500441 -1.080717 -0.524733
H -3.750158 0.366718 1.570632
H -5.458148 0.778984 1.283878
H -4.213751 2.060781 1.213211
H 2.843389 -1.844539 -0.126399
H 2.585961 -3.213306 -1.238219
H 3.419952 -3.485067 0.322252
H 1.620334 -1.857896 2.208460
H 2.054351 -3.556002 2.524022
H 0.334365 -3.068407 2.519822


