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	hartrees
Energy at 0K	-477.297226
Energy at 298.15K
HF Energy	-476.764229
Nuclear repulsion energy	109.682390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3131	3131
2	A₁	3018	3018
3	A₁	1465	1465
4	A₁	1348	1348
5	A₁	1035	1035
6	A₁	691	691
7	A₁	258	258
8	A₂	3112	3112
9	A₂	1442	1442
10	A₂	935	935
11	A₂	164	164
12	B₁	3105	3105
13	B₁	1453	1453
14	B₁	973	973
15	B₁	171	171
16	B₂	3132	3132
17	B₂	3022	3022
18	B₂	1454	1454
19	B₂	1320	1320
20	B₂	898	898
21	B₂	741	741

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.678
C2	0.000	1.380	-0.526
C3	0.000	-1.380	-0.526
H4	0.000	2.321	0.047
H5	0.000	-2.321	0.047
H6	0.904	1.343	-1.158
H7	-0.904	1.343	-1.158
H8	-0.904	-1.343	-1.158
H9	0.904	-1.343	-1.158

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8315	1.8315	2.4052	2.4052	2.4479	2.4479	2.4479	2.4479
C2	1.8315		2.7597	1.1018	3.7448	1.1032	1.1032	2.9378	2.9378
C3	1.8315	2.7597		3.7448	1.1018	2.9378	2.9378	1.1032	1.1032
H4	2.4052	1.1018	3.7448		4.6418	1.7956	1.7956	3.9616	3.9616
H5	2.4052	3.7448	1.1018	4.6418		3.9616	3.9616	1.7956	1.7956
H6	2.4479	1.1032	2.9378	1.7956	3.9616		1.8071	3.2377	2.6864
H7	2.4479	1.1032	2.9378	1.7956	3.9616	1.8071		2.6864	3.2377
H8	2.4479	2.9378	1.1032	3.9616	1.7956	3.2377	2.6864		1.8071
H9	2.4479	2.9378	1.1032	3.9616	1.7956	2.6864	3.2377	1.8071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.548	S1	C2	H6	110.589
S1	C2	H7	110.589	S1	C3	H5	107.548
S1	C3	H8	110.589	S1	C3	H9	110.589
C2	S1	C3	97.773	H4	C2	H6	109.043
H4	C2	H7	109.043	H5	C3	H8	109.043
H5	C3	H9	109.043	H6	C2	H7	109.970
H8	C3	H9	109.970

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

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

States and conformations

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