%chk=000191409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191409

0 1
S -4.631230 -1.340835 0.391174
S 4.624035 -1.367664 -0.379080
O -1.637458 2.513885 -0.881249
O 1.652156 2.519637 0.857187
O -3.267888 -0.554007 -0.251701
O 3.269698 -0.563747 0.261639
O -4.221999 -1.878270 1.658170
O -5.708851 -0.393328 0.327797
O 4.209114 -1.901344 -1.645898
O 5.713282 -0.433642 -0.316023
C -0.715170 2.132512 0.188531
C 0.728683 2.127822 -0.207811
C -1.665490 1.128003 -0.413603
C 1.675948 1.127997 0.406793
C -2.922068 0.717876 0.323612
C 2.931453 0.705001 -0.324988
C -4.768098 -2.571586 -0.818014
C 4.744671 -2.598406 0.831831
H -0.927770 2.610322 1.153973
H 0.942724 2.592934 -1.179119
H -1.316415 0.397940 -1.156477
H 1.324623 0.408228 1.158595
H -2.748076 0.588760 1.409957
H -3.751409 1.436488 0.143667
H 2.758686 0.568008 -1.410581
H 3.764292 1.420576 -0.149323
H -5.721600 -2.537944 -1.371342
H -3.983621 -2.501367 -1.594094
H -4.685246 -3.594604 -0.415447
H 4.648158 -3.620795 0.430710
H 5.698592 -2.576677 1.385032
H 3.961274 -2.516673 1.607884


%chk=000191409-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191409

0 1
S -5.388450 -1.077893 0.102483
S 4.762234 -0.915572 0.811618
O -2.239052 0.692950 -0.530552
O 0.979863 1.827713 0.369655
O -3.941263 -1.920852 -0.825201
O 4.108647 0.704673 0.104339
O -6.688837 -1.955134 -0.259993
O -4.914681 -0.850272 1.638564
O 3.908111 -1.335555 2.121003
O 4.907151 -1.965232 -0.414950
C -0.943354 0.184780 0.069275
C 0.303759 0.781841 -0.490045
C -1.797931 -0.741554 -0.751977
C 1.639026 0.489578 0.133738
C -2.663651 -1.797626 -0.098827
C 2.894171 0.497951 -0.713473
C -5.435894 0.590570 -0.806087
C 6.432384 -0.173943 1.306638
H -0.974261 0.098529 1.163713
H 0.258854 1.049147 -1.555233
H -1.509764 -0.935425 -1.794157
H 1.675474 -0.145691 1.029772
H -2.187910 -2.794643 -0.157401
H -2.855842 -1.556474 0.967460
H 2.994864 -0.441308 -1.297466
H 2.887995 1.356192 -1.409215
H -4.437244 1.026323 -0.657251
H -5.644210 0.345014 -1.855926
H -6.243747 1.169268 -0.336524
H 6.987777 -0.981030 1.803656
H 6.902636 0.159018 0.372937
H 6.198144 0.659756 1.981228


