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	hartrees
Energy at 0K	-438.170515
Energy at 298.15K	-438.165935
HF Energy	-437.700320
Nuclear repulsion energy	56.473617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3326	3134	12.42	73.05	0.75	0.86
2	A'	3239	3052	35.65	110.55	0.01	0.02
3	A'	2906	2738	23.05	158.74	0.41	0.58
4	A'	1635	1540	7.50	17.47	0.75	0.86
5	A'	1521	1433	13.51	1.09	0.65	0.79
6	A'	1220	1149	23.41	17.20	0.70	0.82
7	A'	873	822	2.25	7.32	0.65	0.79
8	A'	776	731	4.28	24.96	0.30	0.46
9	A"	3327	3134	15.29	77.80	0.75	0.86
10	A"	1623	1529	4.92	19.11	0.75	0.86
11	A"	1079	1017	4.09	6.51	0.75	0.86
12	A"	265	250	18.91	4.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.149	0.000
S2	-0.048	-0.665	0.000
H3	1.283	-0.823	0.000
H4	-1.093	1.461	0.000
H5	0.432	1.551	0.892
H6	0.432	1.551	-0.892

	C1	S2	H3	H4	H5	H6
C1		1.8140	2.3795	1.0903	1.0900	1.0900
S2	1.8140		1.3406	2.3690	2.4367	2.4367
H3	2.3795	1.3406		3.2960	2.6755	2.6755
H4	1.0903	2.3690	3.2960		1.7688	1.7688
H5	1.0900	2.4367	2.6755	1.7688		1.7844
H6	1.0900	2.4367	2.6755	1.7688	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	97.937	S2	C1	H4	106.695
S2	C1	H5	111.270	S2	C1	H6	111.270
H4	C1	H5	108.737	H4	C1	H6	108.737
H5	C1	H6	110.015

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: G3MP2

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: G3MP2

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)