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	hartrees
Energy at 0K	-438.157520
Energy at 298.15K	-438.161402
HF Energy	-437.758614
Nuclear repulsion energy	56.395095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3165	7.64
2	A'	3077	3077	22.74
3	A'	2734	2734	4.20
4	A'	1510	1510	6.17
5	A'	1379	1379	6.41
6	A'	1113	1113	10.74
7	A'	809	809	0.48
8	A'	733	733	1.36
9	A"	3168	3168	8.52
10	A"	1496	1496	3.88
11	A"	987	987	3.70
12	A"	241	241	12.33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.152	0.000
S2	-0.048	-0.665	0.000
H3	1.279	-0.824	0.000
H4	-1.092	1.458	0.000
H5	0.432	1.547	0.892
H6	0.432	1.547	-0.892

	C1	S2	H3	H4	H5	H6
C1		1.8164	2.3800	1.0879	1.0865	1.0865
S2	1.8164		1.3363	2.3654	2.4321	2.4321
H3	2.3800	1.3363		3.2906	2.6710	2.6710
H4	1.0879	2.3654	3.2906		1.7671	1.7671
H5	1.0865	2.4321	2.6710	1.7671		1.7831
H6	1.0865	2.4321	2.6710	1.7671	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.854	S2	C1	H4	106.346
S2	C1	H5	111.317	S2	C1	H6	111.317
H4	C1	H5	108.720	H4	C1	H6	108.720
H5	C1	H6	110.277

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD/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: QCISD/cc-pCVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)