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	hartrees
Energy at 0K	-438.177813
Energy at 298.15K	-438.181658
HF Energy	-437.757467
Nuclear repulsion energy	56.148080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3147	3043
2	A'	3057	2955
3	A'	2703	2613
4	A'	1502	1452
5	A'	1365	1319
6	A'	1099	1063
7	A'	800	773
8	A'	716	692
9	A"	3150	3045
10	A"	1488	1439
11	A"	980	947
12	A"	228	220

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.159	0.000
S2	-0.048	-0.668	0.000
H3	1.285	-0.823	0.000
H4	-1.095	1.461	0.000
H5	0.434	1.549	0.895
H6	0.434	1.549	-0.895

	C1	S2	H3	H4	H5	H6
C1		1.8272	2.3889	1.0898	1.0886	1.0886
S2	1.8272		1.3422	2.3725	2.4386	2.4386
H3	2.3889	1.3422		3.2990	2.6740	2.6740
H4	1.0898	2.3725	3.2990		1.7741	1.7741
H5	1.0886	2.4386	2.6740	1.7741		1.7897
H6	1.0886	2.4386	2.6740	1.7741	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.634	S2	C1	H4	106.074
S2	C1	H5	110.967	S2	C1	H6	110.967
H4	C1	H5	109.060	H4	C1	H6	109.060
H5	C1	H6	110.580

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)