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	hartrees
Energy at 0K	-477.283234
Energy at 298.15K
HF Energy	-476.764060
Nuclear repulsion energy	109.554664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3126	3126
2	A₁	3014	3014
3	A₁	1462	1462
4	A₁	1346	1346
5	A₁	1036	1036
6	A₁	690	690
7	A₁	257	257
8	A₂	3107	3107
9	A₂	1441	1441
10	A₂	939	939
11	A₂	166	166
12	B₁	3099	3099
13	B₁	1452	1452
14	B₁	975	975
15	B₁	171	171
16	B₂	3127	3127
17	B₂	3017	3017
18	B₂	1453	1453
19	B₂	1318	1318
20	B₂	900	900
21	B₂	741	741

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.679
C2	0.000	1.382	-0.527
C3	0.000	-1.382	-0.527
H4	0.000	2.323	0.048
H5	0.000	-2.323	0.048
H6	0.904	1.345	-1.159
H7	-0.904	1.345	-1.159
H8	-0.904	-1.345	-1.159
H9	0.904	-1.345	-1.159

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8337	1.8337	2.4075	2.4075	2.4506	2.4506	2.4506	2.4506
C2	1.8337		2.7640	1.1028	3.7496	1.1042	1.1042	2.9421	2.9421
C3	1.8337	2.7640		3.7496	1.1028	2.9421	2.9421	1.1042	1.1042
H4	2.4075	1.1028	3.7496		4.6467	1.7976	1.7976	3.9666	3.9666
H5	2.4075	3.7496	1.1028	4.6467		3.9666	3.9666	1.7976	1.7976
H6	2.4506	1.1042	2.9421	1.7976	3.9666		1.8084	3.2418	2.6906
H7	2.4506	1.1042	2.9421	1.7976	3.9666	1.8084		2.6906	3.2418
H8	2.4506	2.9421	1.1042	3.9666	1.7976	3.2418	2.6906		1.8084
H9	2.4506	2.9421	1.1042	3.9666	1.7976	2.6906	3.2418	1.8084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.518	S1	C2	H6	110.581
S1	C2	H7	110.581	S1	C3	H5	107.518
S1	C3	H8	110.581	S1	C3	H9	110.581
C2	S1	C3	97.819	H4	C2	H6	109.079
H4	C2	H7	109.079	H5	C3	H8	109.079
H5	C3	H9	109.079	H6	C2	H7	109.946
H8	C3	H9	109.946

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)

using model chemistry: QCISD(T)/daug-cc-pVDZ

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 CH3SCH3 (Dimethyl sulfide)

using model chemistry: QCISD(T)/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SCH₃ (Dimethyl sulfide)