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	hartrees
Energy at 0K	-437.962274
Energy at 298.15K	-437.966199
HF Energy	-437.700040
Nuclear repulsion energy	56.297629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	2998	8.66
2	A'	3147	2913	25.07
3	A'	2786	2579	23.27
4	A'	1562	1446	8.17
5	A'	1458	1350	7.25
6	A'	1162	1076	22.05
7	A'	842	780	1.65
8	A'	760	704	1.84
9	A"	3237	2997	11.07
10	A"	1550	1435	5.65
11	A"	1037	960	5.69
12	A"	258	239	18.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.152	0.000
S2	-0.048	-0.666	0.000
H3	1.283	-0.827	0.000
H4	-1.091	1.466	0.000
H5	0.433	1.551	0.892
H6	0.433	1.551	-0.892

	C1	S2	H3	H4	H5	H6
C1		1.8181	2.3854	1.0895	1.0890	1.0890
S2	1.8181		1.3408	2.3735	2.4378	2.4378
H3	2.3854	1.3408		3.3010	2.6787	2.6787
H4	1.0895	2.3735	3.3010		1.7683	1.7683
H5	1.0890	2.4378	2.6787	1.7683		1.7831
H6	1.0890	2.4378	2.6787	1.7683	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.916	S2	C1	H4	106.738
S2	C1	H5	111.505	S2	C1	H6	111.505
H4	C1	H5	108.525	H4	C1	H6	108.525
H5	C1	H6	109.905

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)