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	hartrees
Energy at 0K	-438.004693
Energy at 298.15K	-438.008611
HF Energy	-437.729731
Nuclear repulsion energy	56.338178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	2970	10.07
2	A'	3121	2888	29.88
3	A'	2694	2493	16.38
4	A'	1544	1429	8.80
5	A'	1447	1339	7.36
6	A'	1154	1068	24.02
7	A'	833	770	1.60
8	A'	753	697	1.97
9	A"	3209	2969	12.64
10	A"	1533	1418	5.61
11	A"	1031	954	11.60
12	A"	252	234	18.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.151	0.000
S2	-0.048	-0.665	0.000
H3	1.285	-0.825	0.000
H4	-1.090	1.464	0.000
H5	0.431	1.550	0.891
H6	0.431	1.550	-0.891

	C1	S2	H3	H4	H5	H6
C1		1.8164	2.3841	1.0882	1.0875	1.0875
S2	1.8164		1.3427	2.3704	2.4358	2.4358
H3	2.3841	1.3427		3.2988	2.6772	2.6772
H4	1.0882	2.3704	3.2988		1.7653	1.7653
H5	1.0875	2.4358	2.6772	1.7653		1.7816
H6	1.0875	2.4358	2.6772	1.7653	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.845	S2	C1	H4	106.685
S2	C1	H5	111.546	S2	C1	H6	111.546
H4	C1	H5	108.458	H4	C1	H6	108.458
H5	C1	H6	109.998

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CISD/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: CISD/6-311G*

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)