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	hartrees
Energy at 0K	-477.405308
Energy at 298.15K	-477.399572
HF Energy	-476.735718
Nuclear repulsion energy	107.597087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3279	3089	44.74
2	A'	3248	3060	23.47
3	A'	3212	3027	28.35
4	A'	2909	2741	25.85
5	A'	1649	1553	1.05
6	A'	1640	1546	4.19
7	A'	1566	1476	2.14
8	A'	1451	1368	51.45
9	A'	1218	1147	3.47
10	A'	1066	1004	2.83
11	A'	955	899	4.04
12	A'	730	688	3.33
13	A'	328	309	2.72
14	A"	3305	3114	41.81
15	A"	3278	3088	5.88
16	A"	1639	1544	6.25
17	A"	1392	1312	0.27
18	A"	1155	1088	0.37
19	A"	857	807	2.47
20	A"	272	256	2.17
21	A"	199	188	21.74

Atom	x (Å)	y (Å)	z (Å)
C1	1.513	0.677	0.000
C2	0.000	0.827	0.000
S3	-0.755	-0.831	0.000
H4	1.983	1.664	0.000
H5	1.852	0.135	0.886
H6	1.852	0.135	-0.886
H7	-0.324	1.376	0.887
H8	-0.324	1.376	-0.887
H9	-2.032	-0.415	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5203	2.7238	1.0932	1.0927	1.0927	2.1562	2.1562	3.7091
C2	1.5203		1.8225	2.1519	2.1665	2.1665	1.0923	1.0923	2.3817
S3	2.7238	1.8225		3.7044	2.9181	2.9181	2.4177	2.4177	1.3424
H4	1.0932	2.1519	3.7044		1.7722	1.7722	2.4880	2.4880	4.5209
H5	1.0927	2.1665	2.9181	1.7722		1.7726	2.5045	3.0689	4.0211
H6	1.0927	2.1665	2.9181	1.7722	1.7726		3.0689	2.5045	4.0211
H7	2.1562	1.0923	2.4177	2.4880	2.5045	3.0689		1.7748	2.6293
H8	2.1562	1.0923	2.4177	2.4880	3.0689	2.5045	1.7748		2.6293
H9	3.7091	2.3817	1.3424	4.5209	4.0211	4.0211	2.6293	2.6293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	109.644	C1	C2	H7	110.283
C1	C2	H8	110.283	C2	C1	H4	109.844
C2	C1	H5	111.155	C2	C1	H6	111.155
C2	S3	H9	98.010	S3	C2	H7	109.099
S3	C2	H8	109.099	H4	C1	H5	108.146
H4	C1	H6	108.146	H5	C1	H6	108.291
H7	C2	H8	108.402

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: G3MP2

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 CH3CH2SH (ethanethiol)

using model chemistry: G3MP2

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)