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	hartrees
Energy at 0K	-2479.870087
Energy at 298.15K
HF Energy	-2479.141825
Nuclear repulsion energy	188.138210

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.475
C2	0.000	1.431	-0.821
C3	0.000	-1.431	-0.821
H4	0.000	2.368	-0.275
H5	0.000	-2.368	-0.275
H6	0.892	1.372	-1.436
H7	-0.892	1.372	-1.436
H8	-0.892	-1.372	-1.436
H9	0.892	-1.372	-1.436

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9309	1.9309	2.4840	2.4840	2.5162	2.5162	2.5162	2.5162
C2	1.9309		2.8619	1.0849	3.8382	1.0846	1.0846	3.0051	3.0051
C3	1.9309	2.8619		3.8382	1.0849	3.0051	3.0051	1.0846	1.0846
H4	2.4840	1.0849	3.8382		4.7361	1.7708	1.7708	4.0167	4.0167
H5	2.4840	3.8382	1.0849	4.7361		4.0167	4.0167	1.7708	1.7708
H6	2.5162	1.0846	3.0051	1.7708	4.0167		1.7831	3.2728	2.7445
H7	2.5162	1.0846	3.0051	1.7708	4.0167	1.7831		2.7445	3.2728
H8	2.5162	3.0051	1.0846	4.0167	1.7708	3.2728	2.7445		1.7831
H9	2.5162	3.0051	1.0846	4.0167	1.7708	2.7445	3.2728	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.566	Se1	C2	H6	109.908
Se1	C2	H7	109.908	Se1	C3	H5	107.566
Se1	C3	H8	109.908	Se1	C3	H9	109.908
C2	Se1	C3	95.646	H4	C2	H6	109.417
H4	C2	H7	109.417	H5	C3	H8	109.417
H5	C3	H9	109.417	H6	C2	H7	110.569
H8	C3	H9	110.569

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)