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	hartrees
Energy at 0K	-438.053560
Energy at 298.15K
HF Energy	-437.729201
Nuclear repulsion energy	56.037052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3177	8.71
2	A'	3078	3078	27.14
3	A'	2746	2746	10.53
4	A'	1490	1490	6.05
5	A'	1370	1370	8.69
6	A'	1112	1112	12.58
7	A'	808	808	0.55
8	A'	733	733	1.62
9	A"	3175	3175	12.68
10	A"	1477	1477	3.57
11	A"	981	981	4.21
12	A"	258	258	14.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.154	0.000
S2	-0.048	-0.668	0.000
H3	1.290	-0.819	0.000
H4	-1.106	1.467	0.000
H5	0.437	1.560	0.903
H6	0.437	1.560	-0.903

	C1	S2	H3	H4	H5	H6
C1		1.8221	2.3837	1.1029	1.1022	1.1022
S2	1.8221		1.3463	2.3827	2.4528	2.4528
H3	2.3837	1.3463		3.3110	2.6838	2.6838
H4	1.1029	2.3827	3.3110		1.7895	1.7895
H5	1.1022	2.4528	2.6838	1.7895		1.8051
H6	1.1022	2.4528	2.6838	1.7895	1.8051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.427	S2	C1	H4	106.486
S2	C1	H5	111.638	S2	C1	H6	111.638
H4	C1	H5	108.494	H4	C1	H6	108.494
H5	C1	H6	109.937

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD/cc-pV(D+d)Z

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/cc-pV(D+d)Z

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)