%chk=000240636.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240636

0 1
S 0.776646 0.870054 0.653803
S -2.137120 -0.101589 1.096425
O 0.367856 2.185359 1.136504
O 0.784837 0.671860 -0.787362
O -2.677963 -0.036820 2.446256
O -2.569812 -1.196049 0.251520
C -0.353590 -0.251066 1.410316
C 0.068931 -1.708834 1.208948
C 2.388328 0.470199 1.286544
C -2.422308 1.442122 0.281337
C 0.117167 -2.195435 -0.245351
C 2.431691 0.703773 2.790471
C 3.401746 1.340385 0.549144
C -3.837455 1.897570 0.630787
C -2.244965 1.278825 -1.222103
C 0.775886 -3.578190 -0.340914
C 0.812733 -4.076508 -1.784023
H -0.294236 -0.061862 2.525034
H 1.053868 -1.877166 1.694229
H -0.630358 -2.370553 1.773331
H 2.636580 -0.603318 1.075577
H -1.712136 2.245479 0.643907
H 0.643226 -1.479382 -0.910001
H -0.920254 -2.247674 -0.655220
H 3.460395 0.614927 3.170723
H 2.092766 1.717351 3.062405
H 1.829085 -0.018650 3.352988
H 4.428347 1.098020 0.854450
H 3.256772 2.412119 0.751732
H 3.350267 1.198657 -0.542124
H -4.029453 2.904589 0.236408
H -4.606799 1.238894 0.205150
H -4.001034 1.941273 1.719581
H -2.534384 2.196102 -1.752305
H -2.860914 0.463331 -1.630125
H -1.199125 1.075710 -1.513886
H 0.220676 -4.303989 0.286503
H 1.804443 -3.542792 0.066305
H 1.282881 -5.063174 -1.853169
H -0.197667 -4.163405 -2.203176
H 1.373546 -3.394543 -2.433818


%chk=000240636-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240636

0 1
S 0.788495 0.909733 0.710152
S -2.302811 -0.174942 0.999880
O 0.299726 2.308270 1.433046
O 0.766541 0.823602 -0.927195
O -2.980756 -0.217996 2.493694
O -2.711597 -1.342462 -0.070401
C -0.354400 -0.463297 1.495453
C 0.057967 -1.903085 1.239707
C 2.678824 0.556650 1.319461
C -2.638263 1.672064 0.159939
C 0.341937 -2.322642 -0.224503
C 2.703050 0.772646 2.828879
C 3.529901 1.512127 0.485841
C -4.003685 2.075232 0.704124
C -2.508111 1.478290 -1.342884
C 0.660420 -3.831755 -0.313199
C 0.967610 -4.281808 -1.757093
H -0.406787 -0.146123 2.550501
H 0.943926 -2.128211 1.873608
H -0.763022 -2.537484 1.636383
H 2.802130 -0.496268 1.010792
H -1.801999 2.234115 0.616389
H 1.184045 -1.737690 -0.642890
H -0.542711 -2.092500 -0.843560
H 3.749614 0.713840 3.182653
H 2.312365 1.774696 3.081508
H 2.119085 0.014087 3.379376
H 4.598376 1.296595 0.676568
H 3.333821 2.562842 0.762341
H 3.336574 1.386531 -0.593270
H -4.162228 3.145477 0.468849
H -4.819022 1.492752 0.241373
H -4.056869 1.952058 1.799567
H -2.767971 2.438355 -1.831061
H -3.204541 0.704713 -1.710530
H -1.477772 1.213174 -1.634105
H -0.201750 -4.408714 0.078025
H 1.523704 -4.073170 0.342747
H 1.186410 -5.364173 -1.804765
H 0.107761 -4.079720 -2.422043
H 1.841111 -3.740209 -2.166555


