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	hartrees
Energy at 0K	-438.049833
Energy at 298.15K	-438.053728
HF Energy	-437.725932
Nuclear repulsion energy	55.864500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3179	8.76
2	A'	3078	3078	27.04
3	A'	2734	2734	11.91
4	A'	1490	1490	5.82
5	A'	1366	1366	9.62
6	A'	1106	1106	11.90
7	A'	804	804	0.68
8	A'	728	728	1.80
9	A"	3176	3176	12.74
10	A"	1477	1477	3.49
11	A"	979	979	4.08
12	A"	253	253	14.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.159	0.000
S2	-0.048	-0.671	0.000
H3	1.294	-0.821	0.000
H4	-1.106	1.471	0.000
H5	0.438	1.563	0.903
H6	0.438	1.563	-0.903

	C1	S2	H3	H4	H5	H6
C1		1.8301	2.3928	1.1027	1.1021	1.1021
S2	1.8301		1.3510	2.3887	2.4579	2.4579
H3	2.3928	1.3510		3.3190	2.6895	2.6895
H4	1.1027	2.3887	3.3190		1.7909	1.7909
H5	1.1021	2.4579	2.6895	1.7909		1.8061
H6	1.1021	2.4579	2.6895	1.7909	1.8061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.394	S2	C1	H4	106.414
S2	C1	H5	111.480	S2	C1	H6	111.480
H4	C1	H5	108.638	H4	C1	H6	108.638
H5	C1	H6	110.048

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD/cc-pCVDZ

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-pCVDZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)