%chk=000266878.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266878

0 1
S -0.937599 -2.038371 -1.193955
O 0.915484 -1.154409 0.622501
O 1.930514 1.214101 1.254255
O -0.013177 -3.038124 -0.701072
O -1.514550 -2.210181 -2.514554
O 2.996319 -1.649998 -0.170774
O 3.864318 1.773230 0.159894
N -0.111814 -0.506883 -1.302230
C -0.227013 0.277281 -2.568326
C 0.991412 1.166849 -2.848289
C 0.910331 2.444368 -2.064598
C 0.994451 2.411580 -0.656780
C 0.727752 -0.085862 -0.262071
C 1.198063 1.149892 0.053034
C -2.193168 -1.760158 -0.058848
C 0.734498 3.672942 -2.717090
C 0.900756 3.608640 0.074702
C 0.645248 4.856815 -1.982163
C -3.515469 -1.651659 -0.512734
C -1.920991 -1.653168 1.310080
C 0.725702 4.824649 -0.585291
C -4.554672 -1.438334 0.390000
C -2.956135 -1.439247 2.219596
C -4.281978 -1.327872 1.766061
C 2.088541 -1.960359 0.543197
C -5.393439 -1.111188 2.736171
C 3.297288 1.519018 1.185287
C 1.893450 -3.096145 1.472559
C 3.817709 1.468293 2.580878
H -1.148984 0.902316 -2.508306
H -0.370309 -0.443934 -3.412234
H 1.057720 1.364713 -3.937362
H 1.939246 0.631225 -2.601893
H 0.673651 3.706300 -3.803286
H 0.967243 3.573827 1.162263
H 0.514624 5.806757 -2.497267
H -3.734923 -1.739845 -1.584661
H -0.886844 -1.732362 1.673010
H 0.654653 5.748203 -0.014634
H -5.578581 -1.357475 0.029325
H -2.734272 -1.354722 3.281847
H -5.071227 -0.561446 3.631916
H -6.230277 -0.547175 2.300156
H -5.801992 -2.074695 3.080971
H 1.201281 -3.829836 0.995069
H 1.434232 -2.798893 2.424694
H 2.841577 -3.614145 1.676462
H 3.029721 1.249539 3.318450
H 4.283929 2.427006 2.856088
H 4.592405 0.690343 2.672853


%chk=000266878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266878

0 1
S -1.023164 -2.185656 -1.539217
O 1.470122 -1.641777 0.523137
O 1.502366 0.883827 1.436852
O -0.685580 -3.721656 -1.108206
O -1.796882 -1.851086 -2.949014
O 3.474912 -2.216394 -0.566888
O 3.265754 2.262795 0.715257
N 0.872962 -1.092608 -1.653427
C 0.873613 -0.328713 -2.921197
C 1.401191 1.118005 -2.821247
C 0.545650 2.046664 -1.979227
C 0.434828 1.843956 -0.568686
C 1.161899 -0.601309 -0.414492
C 1.053582 0.687992 0.097520
C -2.031552 -1.387751 -0.152647
C -0.091973 3.168288 -2.555356
C -0.288043 2.780012 0.223596
C -0.825511 4.085107 -1.767210
C -2.967460 -0.400326 -0.502423
C -1.811541 -1.811618 1.168198
C -0.917880 3.890927 -0.369682
C -3.727293 0.181431 0.534933
C -2.583629 -1.211103 2.186759
C -3.548780 -0.212845 1.888223
C 2.545063 -2.542462 0.184330
C -4.395722 0.398832 2.989021
C 2.632585 1.744960 1.648425
C 2.321251 -3.859149 0.879277
C 2.906469 1.870997 3.127552
H -0.153750 -0.350164 -3.346065
H 1.510475 -0.901189 -3.622634
H 1.475499 1.510794 -3.851851
H 2.429145 1.089852 -2.408103
H 0.002852 3.336200 -3.634581
H -0.368010 2.612179 1.302960
H -1.309098 4.947809 -2.238375
H -3.107258 -0.115040 -1.550003
H -1.067640 -2.582342 1.388595
H -1.476827 4.599494 0.250900
H -4.469855 0.949047 0.288437
H -2.431487 -1.522291 3.226606
H -3.863332 0.405602 3.955927
H -4.687709 1.435892 2.748670
H -5.329019 -0.179570 3.132206
H 1.486621 -4.374101 0.366239
H 2.020727 -3.701046 1.928535
H 3.229101 -4.477119 0.827200
H 2.129241 1.372564 3.723313
H 2.970085 2.938674 3.398659
H 3.887703 1.416814 3.352104


