%chk=000268013.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268013

0 1
S 1.860974 -0.022752 -0.878795
O -0.434412 -1.795959 0.285024
O -0.770695 2.934513 0.708175
O -3.046417 2.678495 -0.979723
C -2.499031 -0.709630 0.102489
C -0.387741 0.617227 0.347324
C -3.255115 0.447926 -0.178500
C -1.031097 -0.580598 0.240782
C 1.070465 0.763605 0.574785
C -1.159907 1.873335 0.288917
C -2.569407 1.761747 -0.363024
C -3.140441 -1.944538 0.244358
C -4.642356 0.358736 -0.315917
C -4.533359 -2.024002 0.116119
C -5.281762 -0.878705 -0.161366
C 3.532097 -0.278888 -0.377644
C 4.139271 -1.462986 -0.805350
C 4.236319 0.676370 0.356298
C 5.481667 -1.691049 -0.486006
C 5.576318 0.433305 0.678377
C 6.198234 -0.747089 0.258245
H 1.404204 0.283186 1.514238
H 1.364060 1.835564 0.644480
H -2.549898 -2.841029 0.451757
H -5.219694 1.258424 -0.548754
H -5.031200 -2.987820 0.231604
H -6.365708 -0.943719 -0.263113
H 0.573881 -1.749712 0.247756
H 3.584539 -2.201758 -1.383910
H 3.766211 1.607352 0.670633
H 5.969023 -2.607320 -0.816882
H 6.136661 1.170035 1.252921
H 7.242214 -0.930565 0.508002


%chk=000268013-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268013

0 1
S 1.987483 -0.132911 -1.234529
O -0.363525 -1.705929 0.039486
O -0.666040 3.112603 -0.039624
O -3.460827 2.896312 -0.104870
C -2.527018 -0.672043 0.055324
C -0.420529 0.722227 0.033014
C -3.359255 0.486403 0.020614
C -1.062605 -0.514977 0.040126
C 1.074469 0.858858 0.149933
C -1.206240 1.962796 -0.023602
C -2.757984 1.851026 -0.043214
C -3.118795 -1.957552 0.102901
C -4.766816 0.343098 0.035017
C -4.524623 -2.088636 0.122171
C -5.351531 -0.939692 0.088578
C 3.645716 -0.387565 -0.459176
C 4.343906 -1.577306 -0.775927
C 4.235844 0.588967 0.376611
C 5.639677 -1.786237 -0.252367
C 5.526152 0.362621 0.908124
C 6.232597 -0.821071 0.594758
H 1.458807 0.440109 1.096817
H 1.344975 1.920975 0.059502
H -2.471095 -2.837709 0.123390
H -5.378769 1.250445 0.001737
H -4.975853 -3.085666 0.161759
H -6.441043 -1.046720 0.101619
H 0.593984 -1.554046 -0.259880
H 3.881333 -2.333160 -1.419948
H 3.712673 1.522997 0.604987
H 6.178686 -2.706874 -0.501052
H 5.979757 1.119622 1.557048
H 7.234386 -0.989261 1.003975


