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	hartrees
Energy at 0K	-438.186294
Energy at 298.15K	-438.190181
HF Energy	-437.757704
Nuclear repulsion energy	56.627660

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'	3193	3037	3.73	50.02	0.75	0.85
2	A'	3114	2962	18.93	152.99	0.00	0.00
3	A'	2775	2640	0.65	122.89	0.20	0.33
4	A'	1522	1448	7.34	3.91	0.75	0.85
5	A'	1375	1308	4.75	0.54	0.05	0.09
6	A'	1110	1056	10.54	1.62	0.64	0.78
7	A'	817	777	0.32	7.65	0.17	0.28
8	A'	744	707	1.34	13.62	0.18	0.30
9	A"	3198	3042	2.87	58.16	0.75	0.86
10	A"	1507	1433	4.43	3.77	0.75	0.86
11	A"	994	945	4.27	0.06	0.75	0.86
12	A"	241	230	10.93	0.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.147	0.000
S2	-0.048	-0.662	0.000
H3	1.276	-0.813	0.000
H4	-1.089	1.450	0.000
H5	0.430	1.537	0.890
H6	0.430	1.537	-0.890

	C1	S2	H3	H4	H5	H6
C1		1.8088	2.3650	1.0844	1.0829	1.0829
S2	1.8088		1.3323	2.3546	2.4199	2.4199
H3	2.3650	1.3323		3.2732	2.6516	2.6516
H4	1.0844	2.3546	3.2732		1.7625	1.7625
H5	1.0829	2.4199	2.6516	1.7625		1.7801
H6	1.0829	2.4199	2.6516	1.7625	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.512	S2	C1	H4	106.234
S2	C1	H5	111.121	S2	C1	H6	111.121
H4	C1	H5	108.830	H4	C1	H6	108.830
H5	C1	H6	110.560

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: MP2=FULL/aug-cc-pVTZ

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: MP2=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)