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	hartrees
Energy at 0K	-438.157093
Energy at 298.15K	-438.160976
HF Energy	-437.758623
Nuclear repulsion energy	56.404996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3168	7.40
2	A'	3080	3080	22.43
3	A'	2736	2736	4.03
4	A'	1511	1511	6.22
5	A'	1380	1380	6.27
6	A'	1114	1114	10.78
7	A'	809	809	0.48
8	A'	733	733	1.35
9	A"	3171	3171	8.27
10	A"	1497	1497	3.93
11	A"	988	988	3.73
12	A"	241	241	12.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.151	0.000
S2	-0.048	-0.665	0.000
H3	1.279	-0.824	0.000
H4	-1.091	1.458	0.000
H5	0.431	1.546	0.891
H6	0.431	1.546	-0.891

	C1	S2	H3	H4	H5	H6
C1		1.8161	2.3798	1.0877	1.0863	1.0863
S2	1.8161		1.3362	2.3650	2.4316	2.4316
H3	2.3798	1.3362		3.2902	2.6707	2.6707
H4	1.0877	2.3650	3.2902		1.7668	1.7668
H5	1.0863	2.4316	2.6707	1.7668		1.7827
H6	1.0863	2.4316	2.6707	1.7668	1.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.861	S2	C1	H4	106.346
S2	C1	H5	111.317	S2	C1	H6	111.317
H4	C1	H5	108.719	H4	C1	H6	108.719
H5	C1	H6	110.281

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD/cc-pCVTZ

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-pCVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)