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	hartrees
Energy at 0K	-435.678145
Energy at 298.15K	-435.681971
HF Energy	-435.525692
Nuclear repulsion energy	54.438537

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'	3234	3087	3.74	53.57	0.75	0.86
2	A'	3134	2992	14.90	86.20	0.01	0.03
3	A'	2479	2366	31.59	133.75	0.39	0.56
4	A'	1583	1511	8.87	19.38	0.75	0.86
5	A'	1436	1371	7.20	0.92	0.67	0.80
6	A'	1115	1064	22.51	24.36	0.73	0.84
7	A'	794	758	3.27	12.99	0.72	0.84
8	A'	648	619	3.62	22.81	0.31	0.47
9	A"	3234	3086	7.45	54.85	0.75	0.86
10	A"	1577	1505	8.49	22.77	0.75	0.86
11	A"	1003	957	6.04	11.20	0.75	0.86
12	A"	233	222	23.31	15.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.050	1.217	0.000
S2	-0.050	-0.696	0.000
H3	1.313	-0.850	0.000
H4	-1.100	1.505	0.000
H5	0.440	1.587	0.899
H6	0.440	1.587	-0.899

	C1	S2	H3	H4	H5	H6
C1		1.9124	2.4760	1.0891	1.0886	1.0886
S2	1.9124		1.3718	2.4384	2.5016	2.5016
H3	2.4760	1.3718		3.3721	2.7403	2.7403
H4	1.0891	2.4384	3.3721		1.7853	1.7853
H5	1.0886	2.5016	2.7403	1.7853		1.7977
H6	1.0886	2.5016	2.7403	1.7853	1.7977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.469	S2	C1	H4	105.345
S2	C1	H5	109.875	S2	C1	H6	109.875
H4	C1	H5	110.134	H4	C1	H6	110.134
H5	C1	H6	111.312

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)