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	hartrees
Energy at 0K	-438.566706
Energy at 298.15K	-438.570587
HF Energy	-438.428993
Nuclear repulsion energy	56.170639

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'	3171	3171	8.40	66.87	0.75	0.86
2	A'	3081	3081	27.96	126.43	0.00	0.00
3	A'	2726	2726	7.67	146.34	0.37	0.54
4	A'	1501	1501	8.07	12.48	0.75	0.86
5	A'	1394	1394	10.35	1.58	0.70	0.82
6	A'	1116	1116	21.57	10.31	0.72	0.84
7	A'	814	814	1.06	6.74	0.47	0.64
8	A'	718	718	2.20	15.59	0.27	0.42
9	A"	3171	3171	10.54	71.49	0.75	0.86
10	A"	1488	1488	4.81	11.86	0.75	0.86
11	A"	998	998	11.05	3.64	0.75	0.86
12	A"	247	247	16.45	7.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.157	0.000
S2	-0.048	-0.668	0.000
H3	1.285	-0.826	0.000
H4	-1.093	1.462	0.000
H5	0.430	1.555	0.893
H6	0.430	1.555	-0.893

	C1	S2	H3	H4	H5	H6
C1		1.8254	2.3893	1.0889	1.0881	1.0881
S2	1.8254		1.3417	2.3728	2.4429	2.4429
H3	2.3893	1.3417		3.2999	2.6826	2.6826
H4	1.0889	2.3728	3.2999		1.7683	1.7683
H5	1.0881	2.4429	2.6826	1.7683		1.7859
H6	1.0881	2.4429	2.6826	1.7683	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.759	S2	C1	H4	106.251
S2	C1	H5	111.436	S2	C1	H6	111.436
H4	C1	H5	108.633	H4	C1	H6	108.633
H5	C1	H6	110.294

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: B2PLYP=FULL/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)