%chk=000279363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279363

0 1
S 0.123813 -0.164475 1.467245
O 3.447917 -0.956456 0.333161
O 3.635898 -0.204396 2.467098
C -1.122285 0.196240 0.147503
C -1.884552 -1.091510 -0.069123
C -1.920405 1.309330 0.805662
C -0.462869 0.718664 -1.113943
C 0.814064 -1.805779 1.057201
C 2.038682 -1.961375 1.936956
C 4.546460 -0.094975 -0.201498
C -2.531572 -1.705487 1.021044
C -1.238548 2.417942 1.337880
C -1.232417 1.513547 -1.986738
C -1.940045 -1.708842 -1.326361
C -3.321607 1.273924 0.864239
C 0.861906 0.426705 -1.456287
C 3.102856 -0.924815 1.655411
C -3.216252 -2.908455 0.850969
C -1.949718 3.449750 1.955626
C -0.682216 2.009586 -3.168342
C -2.627596 -2.916332 -1.492868
C -4.028039 2.312121 1.478139
C 1.409166 0.926379 -2.644281
C 5.835287 -0.471339 0.518821
C 4.553772 -0.524650 -1.667123
C 4.154771 1.360240 -0.003239
C -3.266089 -3.519296 -0.407805
C -3.345000 3.398326 2.031980
C 0.645575 1.717136 -3.502576
H 0.065622 -2.596112 1.255617
H 1.077862 -1.857841 -0.019723
H 1.770707 -1.901799 3.018547
H 2.480412 -2.973642 1.793064
H -2.498697 -1.237224 2.008078
H -0.150971 2.491982 1.265729
H -2.268100 1.747793 -1.736074
H -1.450495 -1.255134 -2.189667
H -3.872905 0.440632 0.427760
H 1.502479 -0.187709 -0.812842
H -3.714034 -3.373389 1.700642
H -1.412317 4.298141 2.377015
H -1.286719 2.626799 -3.830915
H -2.663432 -3.383879 -2.475676
H -5.115055 2.272077 1.523253
H 2.449547 0.686793 -2.888990
H 5.780115 -0.218315 1.590362
H 6.697436 0.062047 0.105949
H 6.039638 -1.545166 0.450542
H 5.458264 -0.178633 -2.177364
H 4.512677 -1.618283 -1.755526
H 3.684750 -0.126924 -2.215565
H 4.135296 1.624464 1.067268
H 4.854726 2.039617 -0.498531
H 3.149131 1.569936 -0.391019
H -3.800970 -4.457813 -0.538250
H -3.895769 4.202022 2.516124
H 1.075650 2.105052 -4.423259


%chk=000279363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279363

0 1
S 0.256130 -0.148105 1.370296
O 3.691113 -1.067525 0.316774
O 3.902778 -0.946398 2.651794
C -1.201019 0.231705 0.110181
C -2.003102 -1.076185 -0.013423
C -1.984707 1.384108 0.788219
C -0.678738 0.761527 -1.248984
C 0.924489 -1.803429 0.723078
C 2.078226 -2.256034 1.637319
C 4.891367 -0.163598 0.020069
C -2.644550 -1.613019 1.138207
C -1.278981 2.515604 1.277706
C -1.636427 1.199608 -2.205910
C -2.066910 -1.815974 -1.220398
C -3.401394 1.400825 0.839015
C 0.692730 0.861501 -1.579922
C 3.305721 -1.345907 1.625037
C -3.343878 -2.834550 1.077361
C -1.966902 3.616239 1.829001
C -1.233164 1.713593 -3.455122
C -2.766846 -3.044773 -1.283210
C -4.092634 2.507687 1.382923
C 1.099295 1.377601 -2.833501
C 6.169240 -0.801902 0.600674
C 4.914989 -0.160383 -1.517902
C 4.614978 1.241369 0.590228
C -3.412547 -3.558496 -0.138538
C -3.380374 3.618600 1.885226
C 0.141605 1.804312 -3.778018
H 0.102061 -2.536062 0.751705
H 1.273078 -1.673740 -0.313055
H 1.745756 -2.342693 2.685671
H 2.402521 -3.261881 1.303147
H -2.569651 -1.073210 2.088208
H -0.184528 2.533043 1.223958
H -2.704021 1.149850 -1.964370
H -1.570866 -1.435710 -2.118347
H -3.971203 0.548262 0.456186
H 1.444536 0.557558 -0.844120
H -3.830192 -3.226297 1.977922
H -1.400844 4.473732 2.209903
H -1.989892 2.050034 -4.172925
H -2.801242 -3.598089 -2.228582
H -5.188221 2.498670 1.412048
H 2.167983 1.449984 -3.067749
H 6.144691 -0.808975 1.701102
H 7.049728 -0.221936 0.267959
H 6.284075 -1.838166 0.235776
H 5.739861 0.479069 -1.880000
H 5.064401 -1.182227 -1.907187
H 3.964088 0.228627 -1.921157
H 4.566763 1.220589 1.690001
H 5.427530 1.925791 0.284663
H 3.662048 1.640351 0.199252
H -3.954505 -4.509603 -0.187071
H -3.916523 4.474310 2.310555
H 0.457887 2.207917 -4.746377


