%chk=000266074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266074

0 1
S -4.630797 1.167710 0.303875
S 4.633700 1.152645 -0.308525
O -5.928893 0.537852 0.174792
O -4.351971 2.114204 1.365394
O 5.929224 0.519519 -0.170022
O 4.361854 2.092112 -1.378066
N -4.334775 1.993381 -1.181586
N 4.334983 1.990290 1.169666
C -0.470317 -3.209366 0.618721
C 0.460083 -3.213119 -0.606215
C -1.501351 -2.116554 0.533138
C 1.494323 -2.123014 -0.524981
C -3.427377 -0.087100 0.377912
C 3.426422 -0.098744 -0.377674
C -1.247358 -0.856878 1.099814
C 1.246710 -0.866896 -1.102253
C -2.727723 -2.354011 -0.109416
C 2.717402 -2.359559 0.124189
C -2.212363 0.149248 1.026350
C 2.214759 0.136600 -1.032685
C -3.687957 -1.342636 -0.177045
C 3.680685 -1.350851 0.187878
C -3.081052 2.776979 -1.242399
C -4.639165 1.231274 -2.412903
C 3.083610 2.778367 1.220084
C 4.632468 1.236441 2.407733
H 0.129044 -3.109595 1.548514
H -0.967402 -4.199137 0.703349
H -0.139095 -3.115472 -1.536338
H 0.954467 -4.204587 -0.686886
H -0.299084 -0.666375 1.599802
H 0.301078 -0.677080 -1.607455
H -2.937186 -3.329456 -0.544667
H 2.921923 -3.332349 0.567652
H -2.020095 1.122531 1.492355
H 2.027522 1.106921 -1.506865
H -4.654038 -1.542407 -0.654433
H 4.644228 -1.550122 0.670575
H -2.998623 3.404347 -0.332539
H -3.121821 3.474830 -2.098411
H -2.170075 2.167247 -1.345817
H -5.643496 0.771951 -2.319157
H -3.904018 0.447939 -2.654724
H -4.693051 1.923694 -3.272523
H 3.123521 3.482395 2.071063
H 2.170278 2.172367 1.324655
H 3.006549 3.399249 0.305316
H 5.635591 0.773117 2.321034
H 3.893858 0.457383 2.652795
H 4.685602 1.935118 3.262327


%chk=000266074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266074

0 1
S -4.138028 1.300260 0.462765
S 4.136554 1.288757 -0.472807
O -5.563770 0.856785 -0.179786
O -3.985667 2.047748 1.898561
O 5.561396 0.844801 0.171426
O 3.985412 2.027785 -1.913113
N -3.381741 2.501171 -0.797915
N 3.386035 2.500466 0.780896
C -0.508550 -3.747438 0.611634
C 0.496091 -3.752041 -0.592020
C -1.423502 -2.533182 0.608344
C 1.413422 -2.539533 -0.595706
C -3.048490 -0.251833 0.526008
C 3.042901 -0.260953 -0.526268
C -1.177794 -1.439636 1.479013
C 1.168870 -1.449777 -1.471442
C -2.522834 -2.461361 -0.288809
C 2.513741 -2.465357 0.300037
C -1.991084 -0.285258 1.449513
C 1.984461 -0.296871 -1.448500
C -3.349262 -1.317709 -0.339662
C 3.342423 -1.323055 0.344428
C -2.058272 2.981106 -0.344370
C -3.428773 1.933811 -2.163539
C 2.064991 2.984893 0.325278
C 3.431296 1.941535 2.149997
H 0.066397 -3.784879 1.555374
H -1.106039 -4.677573 0.558417
H -0.078831 -3.793853 -1.535597
H 1.091670 -4.683050 -0.533244
H -0.345923 -1.493292 2.190432
H 0.336172 -1.505313 -2.181749
H -2.744711 -3.311881 -0.944715
H 2.734673 -3.313061 0.959893
H -1.835746 0.549626 2.140724
H 1.830164 0.534806 -2.143801
H -4.220684 -1.262891 -1.000593
H 4.214649 -1.266653 1.004157
H -2.130042 3.271784 0.716951
H -1.819815 3.887178 -0.930630
H -1.234053 2.242602 -0.482590
H -4.431498 1.510477 -2.339610
H -2.649691 1.162423 -2.362136
H -3.283637 2.769845 -2.871500
H 1.832933 3.897066 0.904627
H 1.236379 2.252710 0.470557
H 2.137094 3.266780 -0.738402
H 4.431903 1.513933 2.327819
H 2.648195 1.175709 2.354231
H 3.291418 2.782798 2.852815


