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	hartrees
Energy at 0K	-438.204330
Energy at 298.15K	-438.208230
HF Energy	-437.756663
Nuclear repulsion energy	56.483653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3008	6.81
2	A'	3103	2942	22.07
3	A'	2732	2591	4.48
4	A'	1524	1445	6.38
5	A'	1389	1317	5.91
6	A'	1119	1061	10.83
7	A'	814	772	0.54
8	A'	738	700	1.35
9	A"	3175	3010	7.80
10	A"	1509	1431	4.06
11	A"	992	941	3.92
12	A"	253	240	12.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.150	0.000
S2	-0.048	-0.664	0.000
H3	1.279	-0.814	0.000
H4	-1.089	1.450	0.000
H5	0.430	1.543	0.889
H6	0.430	1.543	-0.889

	C1	S2	H3	H4	H5	H6
C1		1.8138	2.3702	1.0834	1.0826	1.0826
S2	1.8138		1.3356	2.3562	2.4265	2.4265
H3	2.3702	1.3356		3.2761	2.6583	2.6583
H4	1.0834	2.3562	3.2761		1.7619	1.7619
H5	1.0826	2.4265	2.6583	1.7619		1.7772
H6	1.0826	2.4265	2.6583	1.7619	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.451	S2	C1	H4	106.071
S2	C1	H5	111.291	S2	C1	H6	111.291
H4	C1	H5	108.861	H4	C1	H6	108.861
H5	C1	H6	110.324

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCSD=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)