%chk=000284313.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284313

0 1
S 3.199015 1.013843 -0.125246
S -3.330494 -1.375326 1.118465
O 1.630922 0.474505 -0.389822
O 4.102451 -0.034576 -0.519470
O 3.241905 1.533641 1.219083
C -0.430645 -0.669695 0.077557
C 0.877794 -0.119844 0.698546
C -0.272062 -1.280862 -1.328815
C 1.664231 -1.182893 1.476454
C 0.908442 -2.246279 -1.490272
C 2.260743 -2.331706 0.659300
C 1.253242 -3.061858 -0.237646
C -1.500839 0.402720 0.019994
C -2.817968 0.170137 0.437551
C -1.182272 1.676366 -0.487150
C -3.788448 1.175886 0.380782
C -2.143860 2.684788 -0.546884
C -3.450243 2.439743 -0.107228
C 3.209383 2.295177 -1.300579
C -3.508103 -2.413039 -0.354421
H -0.764481 -1.495126 0.767815
H 0.645278 0.731263 1.389733
H -0.161135 -0.464792 -2.071020
H -1.222737 -1.806092 -1.579572
H 0.989815 -1.600887 2.254653
H 2.478494 -0.690181 2.053855
H 1.804361 -1.662592 -1.794856
H 0.696033 -2.932001 -2.332416
H 2.723940 -3.056557 1.358116
H 3.101918 -1.949724 0.035469
H 0.338299 -3.313995 0.329768
H 1.689641 -4.032551 -0.545964
H -0.165002 1.866629 -0.835408
H -4.808074 0.977526 0.716558
H -1.878634 3.666530 -0.936435
H -4.198608 3.228156 -0.148720
H 2.318040 2.287752 -1.949937
H 3.239282 3.298136 -0.846753
H 4.070098 2.244722 -1.986396
H -2.600763 -2.387849 -0.982115
H -4.363267 -2.102544 -0.963081
H -3.672093 -3.445050 -0.021293


%chk=000284313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284313

0 1
S 3.173948 1.348052 0.317414
S -3.122837 -1.178378 1.590324
O 1.748819 0.373047 -0.410885
O 4.534599 0.472383 0.268419
O 2.695697 2.032202 1.708615
C -0.398892 -0.758024 -0.125691
C 0.900470 -0.300854 0.616513
C -0.195123 -1.374073 -1.544167
C 1.641624 -1.438814 1.352895
C 1.014772 -2.325273 -1.743652
C 2.307588 -2.529838 0.486399
C 1.386515 -3.232327 -0.542154
C -1.443406 0.359482 -0.170457
C -2.681587 0.282855 0.530990
C -1.188266 1.534708 -0.929838
C -3.613685 1.347794 0.475520
C -2.115101 2.595403 -0.988707
C -3.337005 2.505371 -0.283165
C 3.206356 2.637952 -1.074778
C -3.911535 -2.290841 0.275077
H -0.803886 -1.549996 0.534549
H 0.618966 0.465679 1.367299
H -0.117459 -0.558125 -2.286290
H -1.133494 -1.914300 -1.784857
H 0.898022 -1.901910 2.033641
H 2.412869 -0.985053 2.007713
H 1.906316 -1.719948 -1.995776
H 0.798635 -2.954881 -2.629669
H 2.729879 -3.286780 1.177182
H 3.167884 -2.088213 -0.052958
H 0.471789 -3.616983 -0.044021
H 1.923697 -4.121634 -0.927002
H -0.237015 1.606842 -1.469027
H -4.549950 1.261481 1.036632
H -1.887836 3.489553 -1.580498
H -4.063346 3.324641 -0.318315
H 3.324044 2.072268 -2.008200
H 2.246508 3.166604 -1.016904
H 4.065730 3.289467 -0.864216
H -3.169842 -2.557159 -0.493620
H -4.768410 -1.773794 -0.182382
H -4.252452 -3.197083 0.800248


