%chk=000205680.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205680

0 1
S 3.727044 -0.509236 1.112849
P 2.409643 0.260027 -0.037590
O 0.834651 0.089858 0.309276
O 2.437409 -0.216623 -1.616176
O 2.491513 1.895343 -0.231694
C -1.288666 -0.908008 0.323321
C 0.208964 -1.213814 0.624863
C -1.796182 0.299648 1.134344
C -1.523669 -0.639374 -1.177670
C -3.301968 0.505635 0.922443
C -3.701014 0.411574 -0.527136
C 0.759545 -2.330052 -0.256232
C 0.457880 -1.491795 2.105002
C -2.900796 -0.121371 -1.461342
C -5.064424 0.940916 -0.849480
C 3.712174 -0.046091 -2.284871
C 2.527493 2.663416 0.995615
H -1.875172 -1.811786 0.619695
H -1.237435 1.204280 0.815998
H -1.584271 0.169136 2.210354
H -1.343269 -1.560872 -1.763899
H -0.779265 0.107219 -1.538156
H -3.600641 1.488600 1.337730
H -3.873181 -0.251676 1.498349
H 1.721446 -2.726675 0.099677
H 0.073133 -3.185472 -0.283041
H 0.905233 -2.010685 -1.300843
H 0.320757 -0.587423 2.712210
H 1.480316 -1.846320 2.304445
H -0.224305 -2.257776 2.488653
H -3.203182 -0.188014 -2.503833
H -5.373676 0.710313 -1.876866
H -5.095237 2.034009 -0.742105
H -5.828294 0.522825 -0.181347
H 3.496556 -0.430906 -3.292615
H 4.498296 -0.650027 -1.811426
H 3.986256 1.015225 -2.339643
H 1.591083 2.548062 1.555173
H 2.614880 3.693384 0.617876
H 3.406177 2.411529 1.605391


%chk=000205680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205680

0 1
S 3.981151 -0.660187 1.092688
P 2.516393 0.280007 -0.039736
O 0.859913 0.108913 0.331773
O 2.490835 -0.054932 -1.733692
O 2.617897 2.005231 -0.105793
C -1.339491 -0.885705 0.345331
C 0.155064 -1.203259 0.673131
C -1.899194 0.338521 1.114085
C -1.582995 -0.689524 -1.174455
C -3.422915 0.480089 0.898190
C -3.827230 0.361586 -0.565277
C 0.708225 -2.351528 -0.196439
C 0.396916 -1.485869 2.168833
C -2.969901 -0.156760 -1.486535
C -5.216913 0.848816 -0.926355
C 3.771296 0.025336 -2.474405
C 2.887961 2.746010 1.145401
H -1.907323 -1.783420 0.676356
H -1.381347 1.245333 0.750275
H -1.695034 0.256157 2.197349
H -1.446876 -1.649061 -1.711385
H -0.812031 0.000067 -1.576381
H -3.764095 1.459186 1.293862
H -3.966486 -0.286850 1.492505
H 1.727069 -2.633476 0.124120
H 0.058867 -3.239259 -0.086498
H 0.744121 -2.071150 -1.260801
H 0.121442 -0.620155 2.792084
H 1.461128 -1.714862 2.350130
H -0.208007 -2.354536 2.489109
H -3.284191 -0.205913 -2.539705
H -5.443337 0.690812 -1.995422
H -5.331434 1.929584 -0.707381
H -5.991558 0.323681 -0.331495
H 3.555772 -0.420486 -3.456615
H 4.562000 -0.549141 -1.956763
H 4.076207 1.079838 -2.588593
H 1.987220 2.760037 1.784242
H 3.138524 3.766266 0.818957
H 3.738157 2.297604 1.692605


