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	hartrees
Energy at 0K	-438.065194
Energy at 298.15K	-438.069064
HF Energy	-437.724964
Nuclear repulsion energy	55.774590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3171	3171
2	A'	3068	3068
3	A'	2722	2722
4	A'	1482	1482
5	A'	1354	1354
6	A'	1096	1096
7	A'	796	796
8	A'	716	716
9	A"	3167	3167
10	A"	1470	1470
11	A"	970	970
12	A"	252	252

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.162	0.000
S2	-0.048	-0.672	0.000
H3	1.296	-0.819	0.000
H4	-1.107	1.471	0.000
H5	0.437	1.566	0.904
H6	0.437	1.566	-0.904

	C1	S2	H3	H4	H5	H6
C1		1.8344	2.3941	1.1029	1.1025	1.1025
S2	1.8344		1.3523	2.3903	2.4625	2.4625
H3	2.3941	1.3523		3.3193	2.6916	2.6916
H4	1.1029	2.3903	3.3193		1.7916	1.7916
H5	1.1025	2.4625	2.6916	1.7916		1.8072
H6	1.1025	2.4625	2.6916	1.7916	1.8072

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.227	S2	C1	H4	106.251
S2	C1	H5	111.513	S2	C1	H6	111.513
H4	C1	H5	108.661	H4	C1	H6	108.661
H5	C1	H6	110.092

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD(TQ)=FULL/cc-pVDZ

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: QCISD(TQ)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)