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	hartrees
Energy at 0K	-438.153841
Energy at 298.15K	-438.157712
HF Energy	-437.756542
Nuclear repulsion energy	56.298775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3026	7.43
2	A'	3078	2941	22.91
3	A'	2728	2607	4.63
4	A'	1510	1443	6.09
5	A'	1378	1317	6.76
6	A'	1111	1061	10.43
7	A'	807	771	0.54
8	A'	731	698	1.52
9	A"	3169	3028	8.60
10	A"	1496	1430	3.84
11	A"	987	943	3.71
12	A"	238	227	12.57

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.153	0.000
S2	-0.048	-0.666	0.000
H3	1.282	-0.819	0.000
H4	-1.092	1.456	0.000
H5	0.432	1.549	0.892
H6	0.432	1.549	-0.892

	C1	S2	H3	H4	H5	H6
C1		1.8194	2.3795	1.0874	1.0867	1.0867
S2	1.8194		1.3392	2.3650	2.4349	2.4349
H3	2.3795	1.3392		3.2889	2.6695	2.6695
H4	1.0874	2.3650	3.2889		1.7680	1.7680
H5	1.0867	2.4349	2.6695	1.7680		1.7832
H6	1.0867	2.4349	2.6695	1.7680	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.581	S2	C1	H4	106.152
S2	C1	H5	111.319	S2	C1	H6	111.319
H4	C1	H5	108.821	H4	C1	H6	108.821
H5	C1	H6	110.266

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD/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 CH3SH (Methanethiol)

using model chemistry: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)