%chk=000258048.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258048

0 1
S -1.557011 1.491971 2.092067
S 1.532865 -1.753645 1.892702
O -0.053639 1.134855 1.339359
O 0.038706 -1.297520 1.176061
O 2.276435 0.666350 -0.625745
O -2.267023 -0.567158 -0.737846
O -2.223859 2.352610 1.141990
O -1.119472 1.994986 3.363685
O 2.212250 -2.479490 0.844060
O 1.079930 -2.422504 3.079704
C -0.059945 0.783636 -0.044769
C 0.061849 -0.763795 -0.148268
C 1.123392 1.541688 -0.674346
C -1.113082 -1.429632 -0.888253
C 3.403672 1.163495 -1.399607
C -3.383537 -0.953812 -1.586701
C -2.348434 -0.019933 2.221889
C 2.321262 -0.273511 2.234267
C 4.600393 0.374168 -0.942750
C -4.586884 -0.232793 -1.042643
C 5.849151 1.009230 -0.855646
C -5.835912 -0.873098 -1.057935
C 4.484503 -0.986385 -0.631057
C -4.476504 1.073125 -0.548600
C 6.974459 0.279776 -0.464171
C -6.966906 -0.202573 -0.585806
C 5.612985 -1.708464 -0.231463
C -5.610774 1.735252 -0.069459
C 6.858555 -1.079103 -0.150818
C -6.856531 1.101465 -0.090330
H -1.011656 1.143149 -0.524702
H 1.019704 -1.056454 -0.660264
H 0.908656 1.811909 -1.722468
H 1.350710 2.449930 -0.081594
H -0.884905 -1.558056 -1.960217
H -1.347602 -2.408468 -0.424756
H 3.522698 2.247845 -1.225219
H 3.182950 0.978273 -2.468552
H -3.503812 -2.051680 -1.562752
H -3.148957 -0.625331 -2.617607
H -1.650919 -0.874447 2.385195
H -3.091455 -0.090146 3.026806
H -2.873977 -0.323651 1.284130
H 1.620953 0.552036 2.501576
H 3.053719 -0.312488 3.050906
H 2.858641 0.152739 1.352604
H 5.947557 2.066442 -1.092110
H -5.930094 -1.888628 -1.436255
H 3.509810 -1.486876 -0.682078
H -3.501829 1.575397 -0.519251
H 7.943757 0.771312 -0.401023
H -7.936369 -0.697568 -0.601919
H 5.512523 -2.765576 0.016370
H -5.514671 2.749154 0.320108
H 7.736750 -1.644229 0.155465
H -7.739179 1.620522 0.278337


%chk=000258048-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258048

0 1
S -1.363087 1.953958 1.851210
S 1.362268 -2.192751 1.580972
O 0.222129 1.233135 1.087929
O -0.225476 -1.379295 0.918937
O 2.467416 0.706374 -0.595766
O -2.468409 -0.628135 -0.700381
O -2.151624 2.730254 0.661816
O -0.813713 2.742967 3.142541
O 2.156263 -2.791658 0.296437
O 0.814534 -3.157812 2.747462
C 0.057515 0.800084 -0.304556
C -0.059400 -0.770164 -0.405924
C 1.248354 1.351770 -1.092874
C -1.247967 -1.215698 -1.262087
C 3.677251 1.202277 -1.280177
C -3.673412 -1.026411 -1.452752
C -2.343565 0.407237 2.368174
C 2.333747 -0.729032 2.311677
C 4.891512 0.456385 -0.764491
C -4.887934 -0.331614 -0.869994
C 6.100401 1.155853 -0.526449
C -6.115855 -1.030684 -0.765002
C 4.846376 -0.944781 -0.549106
C -4.824491 1.024999 -0.461376
C 7.256141 0.466211 -0.093522
C -7.271736 -0.382426 -0.272957
C 5.998787 -1.631004 -0.105556
C -5.977642 1.668213 0.041157
C 7.208102 -0.930829 0.117944
C -7.205431 0.970671 0.131619
H -0.865117 1.264164 -0.713648
H 0.864109 -1.178285 -0.869451
H 1.117505 1.135350 -2.178390
H 1.302337 2.450438 -0.950767
H -1.107843 -0.870818 -2.312599
H -1.308448 -2.323050 -1.253435
H 3.784503 2.293776 -1.105461
H 3.549805 1.041548 -2.375336
H -3.794113 -2.129571 -1.408641
H -3.529811 -0.740944 -2.520254
H -1.696271 -0.128744 3.073670
H -3.267216 0.792326 2.824634
H -2.514770 -0.158339 1.438882
H 1.691568 -0.312339 3.097931
H 3.267457 -1.167046 2.693852
H 2.486748 -0.030028 1.475045
H 6.140390 2.242335 -0.675351
H -6.170963 -2.084934 -1.064750
H 3.910759 -1.493051 -0.702271
H -3.875440 1.569331 -0.511034
H 8.185627 1.018150 0.085554
H -8.215964 -0.933373 -0.198421
H 5.950442 -2.712758 0.061948
H -5.914858 2.714994 0.358787
H 8.101397 -1.467077 0.457466
H -8.098992 1.474150 0.517435


