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	hartrees
Energy at 0K	-438.154636
Energy at 298.15K	-438.158516
HF Energy	-437.758773
Nuclear repulsion energy	56.443771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3195	6.17
2	A'	3105	3105	20.40
3	A'	2757	2757	2.74
4	A'	1512	1512	6.54
5	A'	1379	1379	5.72
6	A'	1114	1114	11.08
7	A'	811	811	0.44
8	A'	735	735	1.40
9	A"	3199	3199	6.97
10	A"	1499	1499	4.17
11	A"	989	989	4.07
12	A"	241	241	12.73

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.151	0.000
S2	-0.048	-0.664	0.000
H3	1.277	-0.823	0.000
H4	-1.090	1.456	0.000
H5	0.430	1.545	0.890
H6	0.430	1.545	-0.890

	C1	S2	H3	H4	H5	H6
C1		1.8160	2.3777	1.0859	1.0846	1.0846
S2	1.8160		1.3340	2.3625	2.4298	2.4298
H3	2.3777	1.3340		3.2856	2.6681	2.6681
H4	1.0859	2.3625	3.2856		1.7642	1.7642
H5	1.0846	2.4298	2.6681	1.7642		1.7809
H6	1.0846	2.4298	2.6681	1.7642	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.831	S2	C1	H4	106.260
S2	C1	H5	111.283	S2	C1	H6	111.283
H4	C1	H5	108.746	H4	C1	H6	108.746
H5	C1	H6	110.376

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP3/cc-pV(T+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: MP3/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)