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	hartrees
Energy at 0K	-437.993301
Energy at 298.15K	-437.997195
HF Energy	-437.699569
Nuclear repulsion energy	56.025806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3171	3051
2	A'	3079	2962
3	A'	2698	2596
4	A'	1531	1473
5	A'	1426	1372
6	A'	1134	1091
7	A'	823	792
8	A'	736	708
9	A"	3168	3048
10	A"	1519	1461
11	A"	1015	977
12	A"	254	244

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.157	0.000
S2	-0.048	-0.669	0.000
H3	1.292	-0.823	0.000
H4	-1.097	1.470	0.000
H5	0.435	1.559	0.896
H6	0.435	1.559	-0.896

	C1	S2	H3	H4	H5	H6
C1		1.8266	2.3914	1.0949	1.0946	1.0946
S2	1.8266		1.3491	2.3831	2.4501	2.4501
H3	2.3914	1.3491		3.3122	2.6860	2.6860
H4	1.0949	2.3831	3.3122		1.7772	1.7772
H5	1.0946	2.4501	2.6860	1.7772		1.7925
H6	1.0946	2.4501	2.6860	1.7772	1.7925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.554	S2	C1	H4	106.618
S2	C1	H5	111.545	S2	C1	H6	111.545
H4	C1	H5	108.528	H4	C1	H6	108.528
H5	C1	H6	109.934

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)