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	hartrees
Energy at 0K	-438.051934
Energy at 298.15K
HF Energy	-437.729237
Nuclear repulsion energy	56.074772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3186	8.23
2	A'	3085	3085	25.89
3	A'	2757	2757	9.80
4	A'	1493	1493	6.10
5	A'	1374	1374	7.99
6	A'	1114	1114	12.65
7	A'	811	811	0.56
8	A'	739	739	1.44
9	A"	3183	3183	12.17
10	A"	1479	1479	3.65
11	A"	984	984	4.27
12	A"	259	259	14.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.048	1.153	0.000
S2	-0.048	-0.668	0.000
H3	1.289	-0.819	0.000
H4	-1.105	1.466	0.000
H5	0.436	1.560	0.902
H6	0.436	1.560	-0.902

	C1	S2	H3	H4	H5	H6
C1		1.8205	2.3822	1.1026	1.1020	1.1020
S2	1.8205		1.3454	2.3814	2.4516	2.4516
H3	2.3822	1.3454		3.3096	2.6831	2.6831
H4	1.1026	2.3814	3.3096		1.7886	1.7886
H5	1.1020	2.4516	2.6831	1.7886		1.8044
H6	1.1020	2.4516	2.6831	1.7886	1.8044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	H3	96.454	S2	C1	H4	106.514
S2	C1	H5	111.675	S2	C1	H6	111.675
H4	C1	H5	108.454	H4	C1	H6	108.454
H5	C1	H6	109.911

All results from a given calculation for CH₃SH (Methanethiol)

using model chemistry: CCD/cc-pV(D+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: CCD/cc-pV(D+d)Z

States and conformations

All results from a given calculation for CH₃SH (Methanethiol)