%chk=000267766.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267766

0 1
S -2.414115 -0.174042 1.834634
O -1.931718 0.164402 -0.762658
O 3.799893 -0.760615 0.720395
O 2.852049 -2.217029 -0.715191
N -4.041407 -0.488779 -0.285456
C 0.350205 -0.561859 -0.359239
C 1.673181 -0.174501 -0.074141
C -0.613433 0.468872 -0.328893
C 0.998246 2.149021 0.266312
C 1.987854 1.160168 0.237154
C -0.332158 1.795550 -0.021333
C -0.046212 -1.960746 -0.661353
C 1.332726 3.561983 0.611008
C 2.767975 -1.176949 -0.101043
C -2.828513 -0.173423 0.228406
C -4.335243 -0.452544 -1.734794
C -5.145563 -0.859491 0.630432
C 4.958065 -1.634070 0.791837
H 3.025510 1.416276 0.470205
H -1.132124 2.534801 0.005951
H -0.971772 -2.014047 -1.250836
H 0.734159 -2.508223 -1.220806
H -0.221727 -2.523628 0.271311
H 0.882692 3.846520 1.575218
H 2.413548 3.734561 0.699397
H 0.954360 4.265055 -0.144441
H -4.678116 -1.441268 -2.085493
H -3.432810 -0.181628 -2.318050
H -5.115431 0.296258 -1.955860
H -4.864410 -1.738250 1.244887
H -6.058950 -1.102813 0.067970
H -5.370382 -0.030505 1.330391
H 5.448589 -1.667475 -0.185607
H 4.648074 -2.637179 1.102915
H 5.578358 -1.143803 1.549072


%chk=000267766-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267766

0 1
S -2.869099 0.271877 1.963655
O -1.924354 -0.087118 -0.614194
O 4.082988 -0.595342 0.409382
O 2.840141 -2.429211 -0.283423
N -4.175968 -0.363455 -0.355755
C 0.402479 -0.707633 -0.239715
C 1.728694 -0.258331 0.069412
C -0.607725 0.285918 -0.197564
C 0.943496 2.059064 0.450960
C 1.976640 1.100155 0.409512
C -0.366622 1.630566 0.131849
C 0.051319 -2.139451 -0.589647
C 1.215266 3.503101 0.830369
C 2.875618 -1.212859 0.034589
C -3.008537 -0.062050 0.294811
C -4.264514 -0.646366 -1.804022
C -5.427136 -0.426513 0.425062
C 5.269560 -1.478068 0.396796
H 3.003303 1.393834 0.642273
H -1.205067 2.334351 0.145468
H -1.032571 -2.240251 -0.749731
H 0.585423 -2.472606 -1.496366
H 0.367649 -2.829974 0.210633
H 0.710023 3.766329 1.778684
H 2.294850 3.687468 0.961943
H 0.842840 4.201339 0.057975
H -4.625398 -1.678934 -1.970431
H -3.275658 -0.533067 -2.264988
H -4.970732 0.057098 -2.283229
H -5.347175 -1.178883 1.229284
H -6.251391 -0.695324 -0.255467
H -5.639092 0.546896 0.901716
H 5.448133 -1.868359 -0.619635
H 5.124983 -2.327267 1.085886
H 6.099034 -0.836333 0.726205


