%chk=000267759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267759

0 1
S 2.178171 0.607478 -1.298841
S -0.358659 2.877650 0.917824
O -1.427004 -2.236407 0.760854
O 1.033244 -0.617752 -1.085300
O 0.234147 1.402023 0.272946
O -2.797333 -1.776724 -1.059514
O 3.093675 0.508800 -0.190695
O 1.594684 1.888265 -1.627372
O -0.133566 2.760827 2.334437
O -1.713697 3.000244 0.443188
C 0.562458 -0.903410 0.244247
C -0.434086 0.199282 0.676313
C -0.142961 -2.277955 0.087836
C -1.771764 0.064374 -0.052771
C -2.377823 -1.308083 0.224825
C 0.597593 -3.405717 0.783290
C -3.533771 -3.016715 -1.038744
C 2.865558 -0.070290 -2.747402
C 0.700405 3.999896 0.172609
H 1.438426 -0.936963 0.932583
H -0.561370 0.197078 1.785313
H -0.325572 -2.479482 -0.994840
H -2.473501 0.883145 0.220123
H -1.617034 0.198051 -1.150745
H -3.192307 -1.347273 0.973490
H 0.660175 -3.239274 1.867857
H 0.068430 -4.358947 0.647963
H 1.615036 -3.522144 0.394080
H -2.964564 -3.786581 -0.507364
H -3.631448 -3.260314 -2.102590
H -4.514449 -2.859058 -0.581380
H 2.881472 0.636807 -3.591252
H 3.902209 -0.415140 -2.613811
H 2.308121 -0.949533 -3.115069
H 1.199957 3.567675 -0.738560
H 0.205963 4.909615 -0.198444
H 1.534584 4.328453 0.811513


%chk=000267759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267759

0 1
S 2.220488 0.842027 -1.573579
S -0.424603 3.039411 1.014524
O -1.445030 -2.150898 0.794342
O 0.950385 -0.545990 -1.354846
O -0.337722 1.645942 -0.276222
O -3.094545 -2.224354 -0.983088
O 2.944793 1.104374 -0.138240
O 1.709281 2.102651 -2.448125
O -0.314073 2.336754 2.474648
O -1.674815 4.006640 0.688425
C 0.366590 -0.658050 -0.003848
C -0.791224 0.341547 0.222500
C -0.182645 -2.128659 0.025409
C -2.068813 -0.106815 -0.503270
C -2.548102 -1.440676 0.103197
C 0.775122 -3.112106 0.693660
C -3.796390 -3.438825 -0.534176
C 3.344978 -0.215113 -2.676964
C 1.204713 3.848573 0.485829
H 1.160803 -0.496631 0.750432
H -0.962799 0.402840 1.318333
H -0.395655 -2.427238 -1.020611
H -2.854652 0.660372 -0.415799
H -1.854656 -0.255317 -1.576080
H -3.291924 -1.315412 0.915399
H 0.899488 -2.864794 1.762417
H 0.387549 -4.141973 0.616825
H 1.764229 -3.070876 0.203108
H -3.112214 -4.112130 0.014113
H -4.160015 -3.929703 -1.449500
H -4.656021 -3.179298 0.116766
H 4.178574 0.436806 -2.972315
H 3.662627 -1.066758 -2.062939
H 2.724884 -0.520768 -3.529831
H 1.103434 4.014361 -0.595953
H 1.285429 4.776166 1.069434
H 1.985930 3.105821 0.702623


