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	hartrees
Energy at 0K	-438.047267
Energy at 298.15K	-438.051151
HF Energy	-437.725015
Nuclear repulsion energy	55.828071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3049	8.67
2	A'	3076	2951	27.14
3	A'	2731	2620	12.21
4	A'	1490	1430	5.82
5	A'	1367	1311	9.75
6	A'	1105	1060	11.91
7	A'	804	771	0.72
8	A'	727	698	1.83
9	A"	3174	3045	12.78
10	A"	1477	1417	3.48
11	A"	980	940	4.08
12	A"	254	244	15.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.160	0.000
S2	-0.048	-0.671	0.000
H3	1.295	-0.826	0.000
H4	-1.106	1.473	0.000
H5	0.438	1.565	0.903
H6	0.438	1.565	-0.903

	C1	S2	H3	H4	H5	H6
C1		1.8311	2.3978	1.1029	1.1024	1.1024
S2	1.8311		1.3522	2.3906	2.4598	2.4598
H3	2.3978	1.3522		3.3241	2.6959	2.6959
H4	1.1029	2.3906	3.3241		1.7905	1.7905
H5	1.1024	2.4598	2.6959	1.7905		1.8058
H6	1.1024	2.4598	2.6959	1.7905	1.8058

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.587	S2	C1	H4	106.477
S2	C1	H5	111.550	S2	C1	H6	111.550
H4	C1	H5	108.571	H4	C1	H6	108.571
H5	C1	H6	109.976

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: QCISD/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/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)