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	hartrees
Energy at 0K	-438.115635
Energy at 298.15K	-438.119546
HF Energy	-437.758878
Nuclear repulsion energy	56.649865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3230	6.81
2	A'	3141	3141	22.13
3	A'	2805	2805	2.95
4	A'	1542	1542	6.68
5	A'	1413	1413	5.90
6	A'	1141	1141	11.71
7	A'	827	827	0.48
8	A'	754	754	1.53
9	A"	3234	3234	7.79
10	A"	1527	1527	4.29
11	A"	1010	1010	3.99
12	A"	247	247	13.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	1.147	0.000
S2	-0.047	-0.662	0.000
H3	1.271	-0.828	0.000
H4	-1.086	1.452	0.000
H5	0.429	1.541	0.887
H6	0.429	1.541	-0.887

	C1	S2	H3	H4	H5	H6
C1		1.8084	2.3746	1.0828	1.0814	1.0814
S2	1.8084		1.3291	2.3553	2.4216	2.4216
H3	2.3746	1.3291		3.2798	2.6657	2.6657
H4	1.0828	2.3553	3.2798		1.7584	1.7584
H5	1.0814	2.4216	2.6657	1.7584		1.7743
H6	1.0814	2.4216	2.6657	1.7584	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	97.194	S2	C1	H4	106.389
S2	C1	H5	111.355	S2	C1	H6	111.355
H4	C1	H5	108.679	H4	C1	H6	108.679
H5	C1	H6	110.239

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CID/cc-pV(T+d)Z

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: CID/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)