%chk=000236627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236627

0 1
S 1.727822 -2.534939 0.399581
O 1.225823 1.421075 -1.778615
O 2.091484 -0.957099 0.940723
O -0.076752 0.074929 -0.387791
O 3.356201 1.451699 1.768572
O 3.472454 2.934266 -0.395932
O 2.618782 -3.366406 1.151402
O 1.794345 -2.479923 -1.041234
C 2.258395 0.129258 0.033579
C 2.173733 1.361105 0.961418
C 2.179051 2.683264 0.161920
C 1.178420 0.199780 -1.072720
C 1.198833 2.646717 -1.017681
C -1.230443 0.002878 -1.274347
C -2.423555 -0.189085 -0.380753
C 0.100049 -2.686203 0.946337
C -3.563600 -0.833215 -0.884478
C -2.412939 0.285485 0.938226
C -4.686293 -0.996562 -0.068773
C -3.536870 0.113683 1.750587
C -4.674700 -0.525820 1.248630
H 3.267327 0.041719 -0.439915
H 1.288451 1.276078 1.631834
H 1.945790 3.537588 0.843263
H 1.288648 -0.561268 -1.885639
H 0.160510 2.811312 -0.680715
H 1.493313 3.384930 -1.794402
H 3.547120 0.571339 2.176563
H 4.172330 2.678467 0.261344
H -1.079793 -0.836973 -1.978217
H -1.286684 0.954236 -1.839808
H 0.007325 -2.932017 2.015916
H -0.476972 -1.739962 0.813677
H -0.486373 -3.448411 0.411570
H -3.580505 -1.202602 -1.908316
H -1.521963 0.785883 1.320767
H -5.573402 -1.492099 -0.461320
H -3.527243 0.483021 2.775168
H -5.551318 -0.655228 1.880980


%chk=000236627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236627

0 1
S 1.930498 -2.607620 0.560402
O 1.270574 1.483062 -1.879060
O 1.961048 -0.785262 1.081577
O -0.202418 0.341271 -0.317740
O 3.457813 1.506589 1.733855
O 3.768410 2.731604 -0.677361
O 3.096713 -3.382068 1.361680
O 1.835030 -2.706059 -1.056584
C 2.187696 0.226180 0.033522
C 2.276265 1.524597 0.867166
C 2.449637 2.751881 -0.053322
C 1.067620 0.318243 -1.031669
C 1.376017 2.764155 -1.146703
C -1.367988 0.210788 -1.207970
C -2.600278 -0.109600 -0.379023
C 0.240570 -2.967941 1.351217
C -3.817457 -0.414765 -1.040473
C -2.567079 -0.103962 1.036580
C -4.982093 -0.709921 -0.299197
C -3.734860 -0.399388 1.778781
C -4.944898 -0.703825 1.115578
H 3.144824 0.054517 -0.493392
H 1.344397 1.620249 1.458061
H 2.331661 3.663898 0.572605
H 1.104993 -0.531941 -1.735795
H 0.395895 3.019166 -0.696624
H 1.637957 3.502636 -1.919196
H 3.477331 0.640371 2.215585
H 4.415429 2.504216 0.043750
H -1.174030 -0.594522 -1.949509
H -1.504301 1.154194 -1.774419
H 0.376190 -2.792937 2.426639
H -0.458448 -2.252832 0.897780
H 0.011488 -4.016975 1.116522
H -3.855742 -0.423431 -2.137411
H -1.628322 0.140421 1.542826
H -5.915484 -0.945138 -0.822722
H -3.699113 -0.386928 2.874205
H -5.848744 -0.932025 1.691238


