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	hartrees
Energy at 0K	-437.402027
Energy at 298.15K	-437.404755
HF Energy	-437.138183
Nuclear repulsion energy	48.319411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3036	2.46
2	A	3183	3017	12.03
3	A	3091	2930	10.65
4	A	1499	1420	11.73
5	A	1406	1333	8.86
6	A	1386	1313	6.50
7	A	892	845	0.97
8	A	741	702	0.35
9	A	622	589	43.84

Atom	x (Å)	y (Å)	z (Å)
C1	1.112	0.000	-0.008
S2	-0.695	0.000	-0.002
H3	1.426	-0.001	1.038
H4	1.510	-0.894	-0.481
H5	1.510	0.894	-0.480

	C1	S2	H3	H4	H5
C1		1.8072	1.0914	1.0868	1.0868
S2	1.8072		2.3617	2.4272	2.4272
H3	1.0914	2.3617		1.7638	1.7638
H4	1.0868	2.4272	1.7638		1.7881
H5	1.0868	2.4272	1.7638	1.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	106.502	S2	C1	H4	111.569
S2	C1	H5	111.572	H3	C1	H4	108.144
H3	C1	H5	108.147	H4	C1	H5	110.698

All results from a given calculation for CH₃S (thiomethoxy)

using model chemistry: MP2/TZVP

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 CH3S (thiomethoxy)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)