%chk=000231142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231142

0 1
O 1.823097 1.059338 0.823639
O 0.157037 0.922923 -1.314938
O 1.598345 -2.425812 0.035640
C 0.988141 -0.141961 0.662237
C -0.085405 0.194969 -0.388040
C -1.407969 -0.444385 -0.125285
C 1.943954 -1.287348 0.208199
C 3.247685 -0.636740 0.082690
C 3.106073 0.727952 0.436175
C -2.593495 0.364949 -0.088566
C -3.838382 -0.269494 0.171339
C -1.483086 -1.808315 0.058917
C 4.497988 -1.119322 -0.309317
C 4.167506 1.633363 0.420176
C -2.572504 1.781927 -0.297083
C -3.884526 -1.686501 0.358402
C -2.735819 -2.436111 0.296983
C -5.030439 0.521844 0.234588
C 5.573303 -0.228685 -0.333638
C 5.405684 1.122853 0.023806
C -3.730422 2.514401 -0.233535
C -4.976954 1.878277 0.040273
H 0.560659 -0.322559 1.670025
H -0.583494 -2.436459 0.018012
H 4.619083 -2.167343 -0.587652
H 4.026870 2.675216 0.692836
H -1.621789 2.268630 -0.527658
H -4.849412 -2.158305 0.546990
H -2.761986 -3.517452 0.429652
H -5.976948 0.022781 0.438641
H 6.558042 -0.579861 -0.636795
H 6.269239 1.791652 -0.010770
H -3.716864 3.592150 -0.395152
H -5.877913 2.488127 0.087012


%chk=000231142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231142

0 1
O 2.090868 0.750592 1.439226
O 0.210311 1.462755 -0.358946
O 1.523420 -2.401950 -0.297549
C 1.128649 -0.300644 1.031623
C -0.045719 0.391631 0.256186
C -1.384179 -0.263904 0.309173
C 1.941811 -1.290472 0.124655
C 3.232591 -0.626412 -0.090331
C 3.257973 0.555861 0.691730
C -2.612220 0.459942 0.006894
C -3.869187 -0.266022 0.076006
C -1.446269 -1.634713 0.636816
C 4.349150 -0.992144 -0.878095
C 4.373472 1.411341 0.723678
C -2.660352 1.853635 -0.333252
C -3.873496 -1.660238 0.406541
C -2.682592 -2.336335 0.674607
C -5.102558 0.415258 -0.191573
C 5.475608 -0.146257 -0.865999
C 5.479739 1.038559 -0.072127
C -3.880609 2.489283 -0.586179
C -5.113539 1.771219 -0.518239
H 0.765142 -0.790597 1.948303
H -0.524471 -2.200568 0.806555
H 4.321026 -1.908085 -1.476935
H 4.373799 2.320363 1.330350
H -1.725354 2.410535 -0.410789
H -4.833261 -2.189762 0.442581
H -2.688700 -3.405042 0.910545
H -6.039113 -0.152091 -0.132989
H 6.355191 -0.393128 -1.468782
H 6.366655 1.682029 -0.079706
H -3.889867 3.554059 -0.844245
H -6.058621 2.286002 -0.721931


