%chk=000266061.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266061

0 1
S 2.453259 0.658204 -0.432915
O 4.139893 -3.845720 0.473994
O 2.307683 -0.010850 -1.707026
O 3.763683 0.751273 0.180479
O -4.742889 -1.231601 1.259973
O -4.728826 -0.914840 -0.978535
N 1.496099 -0.201819 0.744190
C 3.215790 -2.719172 0.318748
C 2.354751 -2.436073 1.527909
C 4.703225 -2.499403 0.361580
C 2.225305 -0.934297 1.818599
C 0.114199 -0.469551 0.570766
C 1.708496 2.200815 -0.490991
C -0.703810 -0.723608 1.698299
C -0.467570 -0.439947 -0.717212
C 0.883263 2.548335 -1.569604
C 1.939900 3.130032 0.531403
C -2.073279 -0.895404 1.540323
C -1.839616 -0.609254 -0.861437
C -2.655767 -0.826403 0.263184
C 0.283552 3.804331 -1.619757
C 1.342727 4.388926 0.487735
C 0.505981 4.735370 -0.587921
C -0.145445 6.074593 -0.645244
C -4.105903 -0.987208 0.058995
C -6.188232 -1.453248 1.229004
C -6.480957 -2.864801 0.764584
H 2.698287 -2.710865 -0.648307
H 1.352859 -2.893473 1.384528
H 2.782111 -2.950429 2.416553
H 5.259775 -2.317337 -0.555396
H 5.191788 -2.138114 1.261988
H 3.240031 -0.476783 1.939091
H 1.696124 -0.785396 2.788461
H -0.264086 -0.770593 2.692780
H 0.150729 -0.344312 -1.615495
H 0.712193 1.832003 -2.382663
H 2.599064 2.873876 1.367853
H -2.710998 -1.082242 2.410250
H -2.296439 -0.585164 -1.856726
H -0.359622 4.066296 -2.458923
H 1.527243 5.104258 1.287547
H -1.243056 5.985509 -0.613121
H 0.145477 6.733604 0.184192
H 0.102920 6.605311 -1.577469
H -6.648265 -0.688171 0.578179
H -6.446892 -1.278974 2.289011
H -7.542291 -3.113598 0.876396
H -5.899579 -3.604401 1.329678
H -6.221183 -2.992986 -0.297624


%chk=000266061-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266061

0 1
S 2.553702 0.684396 -0.371064
O 3.672898 -4.065981 0.199946
O 2.459461 -0.038469 -1.830925
O 4.007230 0.837826 0.346031
O -4.779154 -1.466048 1.350764
O -4.728516 -0.841323 -0.901534
N 1.507119 -0.149838 0.970676
C 2.924674 -2.756815 0.326442
C 2.383632 -2.429112 1.708798
C 4.393959 -2.745163 0.042687
C 2.314880 -0.902647 1.957064
C 0.137038 -0.416216 0.732340
C 1.733841 2.373963 -0.502057
C -0.670566 -0.860056 1.827016
C -0.486533 -0.218234 -0.535839
C 1.224221 2.759689 -1.751298
C 1.732247 3.202335 0.629816
C -2.048847 -1.064001 1.661938
C -1.868332 -0.419096 -0.683959
C -2.671365 -0.836944 0.407120
C 0.658465 4.048125 -1.855254
C 1.155619 4.484901 0.498219
C 0.609041 4.923597 -0.737156
C -0.027674 6.294685 -0.863219
C -4.125712 -1.035772 0.186180
C -6.244697 -1.722471 1.228169
C -6.507830 -3.148446 0.734817
H 2.249577 -2.567519 -0.519157
H 1.388722 -2.893906 1.840378
H 3.055783 -2.871836 2.468392
H 4.741685 -2.521012 -0.971878
H 5.094249 -2.505536 0.853435
H 3.330842 -0.466884 1.926042
H 1.907558 -0.687410 2.963362
H -0.219171 -1.025952 2.809060
H 0.111963 0.034555 -1.414474
H 1.278827 2.080089 -2.607868
H 2.161113 2.866284 1.578617
H -2.658848 -1.396745 2.506421
H -2.346770 -0.273483 -1.658150
H 0.250920 4.376678 -2.818032
H 1.133490 5.152512 1.366598
H -1.129017 6.211154 -0.932050
H 0.204361 6.933953 0.004967
H 0.315978 6.816136 -1.774448
H -6.676336 -0.975392 0.539064
H -6.623195 -1.562275 2.250779
H -7.595397 -3.349766 0.736943
H -6.018199 -3.888874 1.390814
H -6.135233 -3.280956 -0.294629


