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	hartrees
Energy at 0K	-477.405753
Energy at 298.15K
HF Energy	-476.801563
Nuclear repulsion energy	107.576667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3127	3127
2	A'	3071	3071
3	A'	3046	3046
4	A'	2728	2728
5	A'	1508	1508
6	A'	1493	1493
7	A'	1413	1413
8	A'	1300	1300
9	A'	1113	1113
10	A'	1000	1000
11	A'	862	862
12	A'	688	688
13	A'	302	302
14	A"	3137	3137
15	A"	3114	3114
16	A"	1498	1498
17	A"	1270	1270
18	A"	1044	1044
19	A"	787	787
20	A"	250	250
21	A"	177	177

Atom	x (Å)	y (Å)	z (Å)
C1	1.517	0.673	0.000
C2	0.000	0.834	0.000
S3	-0.757	-0.830	0.000
H4	2.000	1.652	0.000
H5	1.849	0.126	0.884
H6	1.849	0.126	-0.884
H7	-0.327	1.378	0.886
H8	-0.327	1.378	-0.886
H9	-2.032	-0.427	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5257	2.7260	1.0913	1.0913	1.0913	2.1639	2.1639	3.7162
C2	1.5257		1.8282	2.1605	2.1687	2.1687	1.0898	1.0898	2.3922
S3	2.7260	1.8282		3.7093	2.9137	2.9137	2.4172	2.4172	1.3371
H4	1.0913	2.1605	3.7093		1.7697	1.7697	2.5049	2.5049	4.5368
H5	1.0913	2.1687	2.9137	1.7697		1.7681	2.5104	3.0719	4.0195
H6	1.0913	2.1687	2.9137	1.7697	1.7681		3.0719	2.5104	4.0195
H7	2.1639	1.0898	2.4172	2.5049	2.5104	3.0719		1.7728	2.6368
H8	2.1639	1.0898	2.4172	2.5049	3.0719	2.5104	1.7728		2.6368
H9	3.7162	2.3922	1.3371	4.5368	4.0195	4.0195	2.6368	2.6368

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.400	C1	C2	H7	110.546
C1	C2	H8	110.546	C2	C1	H4	110.186
C2	C1	H5	110.835	C2	C1	H6	110.835
C2	S3	H9	96.960	S3	C2	H7	109.236
S3	C2	H8	109.236	H4	C1	H5	108.348
H4	C1	H6	108.348	H5	C1	H6	108.203
H7	C2	H8	108.853

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: MP4/Def2TZVPP

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: MP4/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)