%chk=000268050.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268050

0 1
S -1.712127 -0.077215 0.886031
S 2.867631 0.751842 1.295476
O 1.708287 -3.124325 -1.373648
O -0.807295 -0.716466 -0.389553
O 1.798786 -0.149424 0.326491
O 3.428067 -4.102589 -0.289816
O -1.200974 1.252946 1.116170
O -1.660871 -1.076116 1.927493
O 2.402672 0.555502 2.645653
O 4.187641 0.294541 0.929588
C 0.131378 -1.769664 -0.134866
C 1.241256 -1.357179 0.865998
C 0.747676 -2.058065 -1.532898
C 2.302177 -2.457411 0.930944
C 2.805216 -2.836050 -0.462988
C -0.265017 -2.610213 -2.520901
C -3.257929 -0.009368 0.153777
C 2.577040 2.324011 0.702186
C 4.060823 -4.626626 -1.479171
C -4.180732 -1.041718 0.373399
C -3.604979 1.072241 -0.664676
C 1.330897 2.935616 0.884780
C 3.600037 3.010177 0.028176
C -5.438564 -0.995494 -0.222594
C -4.862802 1.123321 -1.265159
C 1.112354 4.231650 0.410858
C 3.385947 4.300343 -0.444893
C -5.789263 0.088506 -1.049714
C 2.135547 4.922886 -0.253754
C -7.137666 0.129435 -1.684026
C 1.917192 6.309086 -0.760651
H -0.422468 -2.651103 0.263391
H 0.824732 -1.140545 1.882870
H 1.266697 -1.147865 -1.908529
H 1.890977 -3.362378 1.430839
H 3.163299 -2.154182 1.564412
H 3.471418 -2.094070 -0.940851
H 0.167061 -2.687309 -3.525677
H -0.586686 -3.620998 -2.235966
H -1.150303 -1.963642 -2.569792
H 3.323137 -4.722376 -2.282939
H 4.896647 -3.986552 -1.773355
H 4.411534 -5.609952 -1.146336
H -3.915491 -1.885574 1.022211
H -2.890257 1.886115 -0.831865
H 0.509354 2.400986 1.393739
H 4.572706 2.526277 -0.124731
H -6.152764 -1.798808 -0.047774
H -5.125183 1.967496 -1.900640
H 0.139369 4.696676 0.560905
H 4.182417 4.830020 -0.963159
H -7.935513 0.159379 -0.925398
H -7.319469 -0.763500 -2.302031
H -7.283268 1.002637 -2.334606
H 2.607383 7.020975 -0.282530
H 2.091835 6.371927 -1.845198
H 0.899134 6.678084 -0.577000


%chk=000268050-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268050

0 1
S -1.752859 -0.151741 1.075962
S 3.067092 0.828510 1.396352
O 1.601528 -3.452883 -1.237645
O -0.640995 -0.642067 -0.388878
O 2.156482 -0.275134 0.149574
O 3.580074 -4.307418 -0.278172
O -1.303012 1.321620 1.580830
O -1.795650 -1.421520 2.089150
O 2.340370 0.596231 2.828720
O 4.656476 0.566611 1.233723
C 0.254982 -1.762337 -0.107714
C 1.456276 -1.402736 0.804717
C 0.753782 -2.275302 -1.499572
C 2.402418 -2.613329 0.946775
C 2.820060 -3.113217 -0.437383
C -0.374986 -2.729650 -2.419891
C -3.391846 -0.007008 0.181928
C 2.640359 2.501441 0.673483
C 4.156724 -4.813812 -1.534226
C -4.210364 -1.147486 0.123619
C -3.744561 1.234844 -0.366474
C 1.333452 2.986090 0.832738
C 3.671429 3.203727 0.027722
C -5.454662 -1.022879 -0.527907
C -4.996520 1.329087 -1.015262
C 1.061127 4.271879 0.312115
C 3.365097 4.482952 -0.480302
C -5.864165 0.209629 -1.107548
C 2.062134 5.035112 -0.344548
C -7.210181 0.320574 -1.798375
C 1.757116 6.418606 -0.888678
H -0.297253 -2.587584 0.389248
H 1.094583 -1.079309 1.801854
H 1.354604 -1.466762 -1.965919
H 1.892307 -3.439220 1.475659
H 3.293852 -2.327230 1.531598
H 3.381577 -2.333813 -1.004860
H 0.043382 -3.103466 -3.370050
H -0.949264 -3.548454 -1.950441
H -1.056881 -1.889474 -2.632330
H 3.359592 -5.124167 -2.232541
H 4.793274 -4.041810 -2.014035
H 4.773950 -5.679160 -1.249453
H -3.894624 -2.086723 0.588634
H -3.076606 2.096736 -0.275635
H 0.551927 2.396686 1.326871
H 4.671564 2.767646 -0.059603
H -6.118109 -1.893420 -0.584592
H -5.301181 2.286439 -1.451987
H 0.051665 4.683326 0.422192
H 4.148339 5.060115 -0.985311
H -8.036705 0.113318 -1.093349
H -7.297402 -0.410624 -2.623151
H -7.371074 1.326787 -2.219705
H 2.382443 7.186166 -0.395472
H 1.966778 6.477557 -1.972851
H 0.700789 6.693945 -0.731901


