%chk=000250112.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250112

0 1
S 0.166485 2.191131 0.613949
O 2.473177 1.104595 -0.019642
O -2.563758 1.141312 -0.045643
O 1.197355 -0.178757 -1.381474
O -1.064131 0.037784 1.233338
C 1.839931 -0.961203 0.863815
C -1.798923 -0.884698 -0.930750
C 1.779633 -2.432206 0.442166
C -1.769227 -2.341007 -0.455264
C 1.419962 3.238453 -0.202475
C -1.351329 3.183668 0.401774
C 2.336819 2.251946 -0.906610
C -2.492323 2.287337 0.846248
C 1.747857 -0.039512 -0.312382
C -1.715796 0.075972 0.212589
C 1.998445 -3.360904 1.631295
C -1.983081 -3.307319 -1.615102
H 2.752233 -0.746417 1.459131
H 0.982149 -0.719589 1.549056
H -2.696911 -0.682342 -1.551527
H -0.920380 -0.683825 -1.603099
H 0.782394 -2.637179 -0.021971
H 2.530441 -2.636280 -0.346123
H -0.782163 -2.546428 0.030585
H -2.537001 -2.505736 0.325504
H 1.957422 3.819317 0.569720
H 0.972907 3.957670 -0.907017
H -1.470774 3.480299 -0.657111
H -1.301474 4.105072 1.007941
H 1.948622 1.922239 -1.890429
H 3.374450 2.617367 -1.004442
H -2.390279 1.935001 1.891570
H -3.483040 2.756042 0.693829
H 1.925578 -4.412239 1.329705
H 2.987186 -3.218084 2.082829
H 1.253103 -3.192873 2.418494
H -1.932000 -4.348490 -1.275925
H -2.961150 -3.165339 -2.089274
H -1.220611 -3.178679 -2.393677


%chk=000250112-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250112

0 1
S 0.004918 2.814481 1.344108
O 2.452275 1.094489 0.065395
O -2.456031 1.446633 -0.534630
O 1.077861 -0.392268 -1.100025
O -2.738189 0.010781 1.291532
C 2.446141 -1.181917 0.807602
C -2.172093 -0.894333 -0.948817
C 2.198675 -2.645157 0.386699
C -2.302123 -2.327614 -0.396098
C 1.500496 3.324408 0.300907
C -1.399666 3.514391 0.269811
C 1.923106 2.252951 -0.703752
C -2.649562 2.633895 0.330500
C 1.903928 -0.170222 -0.185718
C -2.487385 0.174350 0.077929
C 2.703471 -3.640705 1.451710
C -1.873582 -3.378479 -1.441640
H 3.522387 -0.981407 0.963872
H 1.955920 -0.975366 1.781043
H -2.830445 -0.739810 -1.825627
H -1.138530 -0.713868 -1.303846
H 1.117236 -2.793301 0.208452
H 2.700116 -2.838646 -0.580837
H -1.677921 -2.419780 0.512649
H -3.343859 -2.511705 -0.071267
H 2.312125 3.519108 1.021030
H 1.261333 4.270409 -0.216371
H -1.040777 3.572736 -0.771952
H -1.637005 4.530293 0.631713
H 1.089831 1.914570 -1.344489
H 2.756923 2.613378 -1.335348
H -2.889771 2.304496 1.357749
H -3.511986 3.180250 -0.093142
H 2.523960 -4.684080 1.135632
H 3.789466 -3.524561 1.629073
H 2.186543 -3.487863 2.417844
H -1.963706 -4.403670 -1.038245
H -2.500300 -3.318773 -2.351842
H -0.821981 -3.221994 -1.748004


