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	hartrees
Energy at 0K	-437.373806
Energy at 298.15K	-437.376541
HF Energy	-437.107194
Nuclear repulsion energy	48.521129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3235	3038	0.99
2	A	3217	3021	11.25
3	A	3120	2930	10.51
4	A	1521	1429	12.78
5	A	1431	1344	9.46
6	A	1411	1325	6.24
7	A	912	856	1.36
8	A	759	713	0.55
9	A	617	579	50.65

Atom	x (Å)	y (Å)	z (Å)
C1	1.105	0.000	-0.007
S2	-0.692	0.000	-0.002
H3	1.426	-0.000	1.035
H4	1.506	-0.892	-0.481
H5	1.506	0.892	-0.480

	C1	S2	H3	H4	H5
C1		1.7966	1.0909	1.0862	1.0862
S2	1.7966		2.3578	2.4192	2.4192
H3	1.0909	2.3578		1.7606	1.7606
H4	1.0862	2.4192	1.7606		1.7836
H5	1.0862	2.4192	1.7606	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	C1	H3	106.927	S2	C1	H4	111.725
S2	C1	H5	111.727	H3	C1	H4	107.934
H3	C1	H5	107.937	H4	C1	H5	110.382

All results from a given calculation for CH₃S (thiomethoxy)

using model chemistry: MP2=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 CH3S (thiomethoxy)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃S (thiomethoxy)