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	hartrees
Energy at 0K	-477.261028
Energy at 298.15K
HF Energy	-476.757521
Nuclear repulsion energy	109.925694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3160	3030
2	A₁	3044	2919
3	A₁	1481	1420
4	A₁	1362	1307
5	A₁	1043	1000
6	A₁	703	675
7	A₁	265	254
8	A₂	3139	3010
9	A₂	1456	1396
10	A₂	949	911
11	A₂	176	169
12	B₁	3132	3004
13	B₁	1465	1405
14	B₁	987	947
15	B₁	186	179
16	B₂	3160	3030
17	B₂	3046	2921
18	B₂	1473	1413
19	B₂	1335	1280
20	B₂	907	870
21	B₂	756	725

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.674
C2	0.000	1.377	-0.522
C3	0.000	-1.377	-0.522
H4	0.000	2.317	0.055
H5	0.000	-2.317	0.055
H6	0.902	1.349	-1.159
H7	-0.902	1.349	-1.159
H8	-0.902	-1.349	-1.159
H9	0.902	-1.349	-1.159

	S1	C2	C3	H4	H5	H6	H7	H8	H9
S1		1.8235	1.8235	2.3982	2.3982	2.4485	2.4485	2.4485	2.4485
C2	1.8235		2.7530	1.1033	3.7383	1.1051	1.1051	2.9410	2.9410
C3	1.8235	2.7530		3.7383	1.1033	2.9410	2.9410	1.1051	1.1051
H4	2.3982	1.1033	3.7383		4.6339	1.7960	1.7960	3.9660	3.9660
H5	2.3982	3.7383	1.1033	4.6339		3.9660	3.9660	1.7960	1.7960
H6	2.4485	1.1051	2.9410	1.7960	3.9660		1.8050	3.2463	2.6982
H7	2.4485	1.1051	2.9410	1.7960	3.9660	1.8050		2.6982	3.2463
H8	2.4485	2.9410	1.1051	3.9660	1.7960	3.2463	2.6982		1.8050
H9	2.4485	2.9410	1.1051	3.9660	1.7960	2.6982	3.2463	1.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	H4	107.482	S1	C2	H6	111.068
S1	C2	H7	111.068	S1	C3	H5	107.482
S1	C3	H8	111.068	S1	C3	H9	111.068
C2	S1	C3	98.026	H4	C2	H6	108.824
H4	C2	H7	108.824	H5	C3	H8	108.824
H5	C3	H9	108.824	H6	C2	H7	109.502
H8	C3	H9	109.502

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

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

States and conformations

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