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	hartrees
Energy at 0K	-438.006210
Energy at 298.15K	-438.010112
HF Energy	-437.699662
Nuclear repulsion energy	56.101545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3181	3059
2	A'	3085	2967
3	A'	2720	2615
4	A'	1535	1476
5	A'	1430	1375
6	A'	1137	1093
7	A'	825	793
8	A'	740	712
9	A"	3179	3057
10	A"	1522	1464
11	A"	1017	978
12	A"	257	247

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.155	0.000
S2	-0.048	-0.668	0.000
H3	1.290	-0.823	0.000
H4	-1.097	1.468	0.000
H5	0.434	1.558	0.896
H6	0.434	1.558	-0.896

	C1	S2	H3	H4	H5	H6
C1		1.8234	2.3882	1.0943	1.0940	1.0940
S2	1.8234		1.3473	2.3798	2.4477	2.4477
H3	2.3882	1.3473		3.3085	2.6841	2.6841
H4	1.0943	2.3798	3.3085		1.7757	1.7757
H5	1.0940	2.4477	2.6841	1.7757		1.7911
H6	1.0940	2.4477	2.6841	1.7757	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.585	S2	C1	H4	106.613
S2	C1	H5	111.616	S2	C1	H6	111.616
H4	C1	H5	108.474	H4	C1	H6	108.474
H5	C1	H6	109.898

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP4=FULL/6-31G*

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: MP4=FULL/6-31G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)