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	hartrees
Energy at 0K	-477.605646
Energy at 298.15K
HF Energy	-476.801698
Nuclear repulsion energy	107.726340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3119	3119
2	A'	3069	3069
3	A'	3042	3042
4	A'	2724	2724
5	A'	1509	1509
6	A'	1497	1497
7	A'	1418	1418
8	A'	1305	1305
9	A'	1118	1118
10	A'	1004	1004
11	A'	867	867
12	A'	690	690
13	A'	303	303
14	A"	3130	3130
15	A"	3108	3108
16	A"	1500	1500
17	A"	1276	1276
18	A"	1047	1047
19	A"	790	790
20	A"	250	250
21	A"	179	179

Atom	x (Å)	y (Å)	z (Å)
C1	1.515	0.673	0.000
C2	0.000	0.833	0.000
S3	-0.756	-0.829	0.000
H4	1.996	1.650	0.000
H5	1.847	0.127	0.883
H6	1.847	0.127	-0.883
H7	-0.326	1.375	0.885
H8	-0.326	1.375	-0.885
H9	-2.030	-0.427	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5238	2.7232	1.0894	1.0895	1.0895	2.1601	2.1601	3.7122
C2	1.5238		1.8255	2.1573	2.1653	2.1653	1.0876	1.0876	2.3890
S3	2.7232	1.8255		3.7045	2.9105	2.9105	2.4132	2.4132	1.3359
H4	1.0894	2.1573	3.7045		1.7668	1.7668	2.5004	2.5004	4.5306
H5	1.0895	2.1653	2.9105	1.7668		1.7654	2.5057	3.0663	4.0149
H6	1.0895	2.1653	2.9105	1.7668	1.7654		3.0663	2.5057	4.0149
H7	2.1601	1.0876	2.4132	2.5004	2.5057	3.0663		1.7695	2.6328
H8	2.1601	1.0876	2.4132	2.5004	3.0663	2.5057	1.7695		2.6328
H9	3.7122	2.3890	1.3359	4.5306	4.0149	4.0149	2.6328	2.6328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.459	C1	C2	H7	110.507
C1	C2	H8	110.507	C2	C1	H4	110.179
C2	C1	H5	110.811	C2	C1	H6	110.811
C2	S3	H9	96.950	S3	C2	H7	109.235
S3	C2	H8	109.235	H4	C1	H5	108.361
H4	C1	H6	108.361	H5	C1	H6	108.234
H7	C2	H8	108.874

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)