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	hartrees
Energy at 0K	-438.048954
Energy at 298.15K	-438.052849
HF Energy	-437.709731
Nuclear repulsion energy	56.225954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3210	3210
2	A'	3109	3109
3	A'	2767	2767
4	A'	1520	1520
5	A'	1424	1424
6	A'	1134	1134
7	A'	824	824
8	A'	733	733
9	A"	3205	3205
10	A"	1499	1499
11	A"	1007	1007
12	A"	251	251

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.156	0.000
S2	-0.048	-0.668	0.000
H3	1.279	-0.817	0.000
H4	-1.091	1.466	0.000
H5	0.432	1.556	0.891
H6	0.432	1.556	-0.891

	C1	S2	H3	H4	H5	H6
C1		1.8241	2.3777	1.0885	1.0881	1.0881
S2	1.8241		1.3354	2.3757	2.4435	2.4435
H3	2.3777	1.3354		3.2911	2.6725	2.6725
H4	1.0885	2.3757	3.2911		1.7669	1.7669
H5	1.0881	2.4435	2.6725	1.7669		1.7816
H6	1.0881	2.4435	2.6725	1.7669	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.400	S2	C1	H4	106.560
S2	C1	H5	111.573	S2	C1	H6	111.573
H4	C1	H5	108.543	H4	C1	H6	108.543
H5	C1	H6	109.905

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD(T)=FULL/6-31+G**

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(T)=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)