%chk=000281345.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281345

0 1
S 3.749875 -1.312231 1.135848
S 6.548816 1.748290 0.289374
O -5.118012 2.571019 -0.394219
O -3.686734 1.648691 -1.844355
O -5.768442 -0.754005 -0.987827
O 3.916045 -1.789022 2.491327
O 4.312992 -2.016773 0.008820
N 4.042863 1.839540 -0.700809
N 4.433780 0.265624 1.114929
N -2.745055 0.367083 0.699151
N -2.048829 -0.472222 0.101488
C -4.172039 0.473120 0.307653
C -4.952499 1.077848 1.496241
C -5.698076 2.288085 0.915997
C 4.959410 0.833867 -0.114184
C -4.259394 1.572211 -0.798794
C 4.825281 2.907902 -1.384123
C -4.898986 -0.824623 -0.158321
C 6.065617 3.281064 -0.564328
C 2.067121 -1.020529 0.856011
C -4.504434 -2.090327 0.523702
C -0.643018 -0.577787 0.425046
C 1.146084 -1.299548 1.871133
C 1.631753 -0.519182 -0.375939
C -0.216847 -1.077744 1.666958
C 0.273031 -0.291993 -0.601527
H -5.646707 0.353170 1.957041
H -4.259257 1.388726 2.306694
H -6.769613 2.100562 0.728654
H -5.557158 3.219541 1.488511
H 5.190336 0.043742 -0.884118
H 4.174982 3.788832 -1.567113
H 5.124024 2.523379 -2.387974
H 3.418655 2.245263 0.009945
H 5.864691 4.074844 0.175153
H 6.899772 3.625230 -1.200599
H 4.674507 0.754152 1.985756
H -3.633044 -2.546109 0.015706
H -4.232415 -1.965109 1.577613
H -5.312208 -2.838551 0.465653
H 1.493614 -1.692166 2.836602
H 2.351330 -0.297404 -1.175195
H -0.934818 -1.286879 2.457681
H -0.074290 0.097018 -1.561362


%chk=000281345-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281345

0 1
S 3.763356 -1.067556 1.530871
S 6.786091 2.069335 0.342739
O -5.401483 2.624717 0.591424
O -3.448330 2.530725 -0.659083
O -5.721800 0.003298 -1.329133
O 3.871245 -1.399549 3.120445
O 4.370639 -2.052305 0.382865
N 4.322778 1.551735 -0.867654
N 4.528789 0.662136 1.334347
N -2.912083 0.170270 1.076759
N -2.074743 -0.078493 0.112373
C -4.270450 0.476313 0.566003
C -5.289683 0.506905 1.737660
C -6.247015 1.654304 1.352854
C 5.201163 0.864469 0.052057
C -4.285831 1.976485 0.057271
C 5.120320 2.312512 -1.848120
C -4.828998 -0.445335 -0.567477
C 6.173611 3.170627 -1.067092
C 1.951751 -0.743727 1.117357
C -4.351913 -1.882526 -0.628304
C -0.716319 -0.300410 0.539180
C 1.068360 -0.536056 2.193237
C 1.568010 -0.745842 -0.232744
C -0.287858 -0.310743 1.896204
C 0.205002 -0.519859 -0.516881
H -5.824212 -0.447145 1.880953
H -4.729210 0.739178 2.659886
H -7.055743 1.326696 0.679410
H -6.655800 2.204644 2.212715
H 5.627696 -0.053053 -0.387763
H 4.461326 2.946217 -2.465253
H 5.647945 1.605067 -2.512088
H 3.662625 2.141588 -0.338169
H 5.724130 4.085753 -0.648362
H 7.036837 3.429706 -1.700496
H 5.137826 0.775392 2.164418
H -3.382973 -1.915239 -1.158802
H -4.181234 -2.304265 0.378209
H -5.087048 -2.485859 -1.183295
H 1.440856 -0.568890 3.222253
H 2.302641 -0.916819 -1.024770
H -1.022599 -0.140278 2.688156
H -0.164967 -0.497524 -1.546260


