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	hartrees
Energy at 0K	-438.495413
Energy at 298.15K	-438.499295
HF Energy	-438.397825
Nuclear repulsion energy	56.153421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3200	3043	7.55	64.99	0.75	0.86
2	A'	3102	2950	28.04	117.34	0.00	0.00
3	A'	2747	2613	12.64	141.74	0.33	0.50
4	A'	1513	1439	8.76	12.02	0.75	0.86
5	A'	1404	1335	9.33	1.47	0.75	0.86
6	A'	1124	1069	21.51	10.91	0.73	0.84
7	A'	816	776	1.69	8.13	0.41	0.58
8	A'	723	687	1.90	18.74	0.24	0.39
9	A"	3195	3039	8.13	74.69	0.75	0.86
10	A"	1498	1424	5.56	11.40	0.75	0.86
11	A"	998	949	5.48	2.74	0.75	0.86
12	A"	249	237	18.92	0.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.158	0.000
S2	-0.048	-0.668	0.000
H3	1.283	-0.829	0.000
H4	-1.093	1.465	0.000
H5	0.431	1.557	0.892
H6	0.431	1.557	-0.892

	C1	S2	H3	H4	H5	H6
C1		1.8263	2.3912	1.0888	1.0884	1.0884
S2	1.8263		1.3401	2.3751	2.4447	2.4447
H3	2.3912	1.3401		3.3018	2.6855	2.6855
H4	1.0888	2.3751	3.3018		1.7682	1.7682
H5	1.0884	2.4447	2.6855	1.7682		1.7843
H6	1.0884	2.4447	2.6855	1.7682	1.7843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.881	S2	C1	H4	106.362
S2	C1	H5	111.490	S2	C1	H6	111.490
H4	C1	H5	108.618	H4	C1	H6	108.618
H5	C1	H6	110.115

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)