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	hartrees
Energy at 0K	-477.545867
Energy at 298.15K
HF Energy	-476.807027
Nuclear repulsion energy	107.917793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3122	2995
2	A'	3089	2963
3	A'	3061	2936
4	A'	2711	2600
5	A'	1523	1460
6	A'	1510	1448
7	A'	1423	1365
8	A'	1315	1261
9	A'	1125	1079
10	A'	1012	971
11	A'	873	837
12	A'	694	666
13	A'	304	291
14	A"	3132	3004
15	A"	3109	2982
16	A"	1514	1452
17	A"	1283	1231
18	A"	1057	1014
19	A"	794	762
20	A"	270	259
21	A"	194	186

Atom	x (Å)	y (Å)	z (Å)
C1	1.511	0.674	0.000
C2	0.000	0.831	0.000
S3	-0.754	-0.829	0.000
H4	1.991	1.651	0.000
H5	1.842	0.129	0.881
H6	1.842	0.129	-0.881
H7	-0.326	1.371	0.883
H8	-0.326	1.371	-0.883
H9	-2.027	-0.427	0.000

	C1	C2	S3	H4	H5	H6	H7	H8	H9
C1		1.5193	2.7186	1.0879	1.0880	1.0880	2.1543	2.1543	3.7061
C2	1.5193		1.8228	2.1536	2.1594	2.1594	1.0854	1.0854	2.3859
S3	2.7186	1.8228		3.6993	2.9043	2.9043	2.4088	2.4088	1.3353
H4	1.0879	2.1536	3.6993		1.7646	1.7646	2.4957	2.4957	4.5242
H5	1.0880	2.1594	2.9043	1.7646		1.7630	2.4987	3.0590	4.0075
H6	1.0880	2.1594	2.9043	1.7646	1.7630		3.0590	2.4987	4.0075
H7	2.1543	1.0854	2.4088	2.4957	2.4987	3.0590		1.7661	2.6283
H8	2.1543	1.0854	2.4088	2.4957	3.0590	2.4987	1.7661		2.6283
H9	3.7061	2.3859	1.3353	4.5242	4.0075	4.0075	2.6283	2.6283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	108.524	C1	C2	H7	110.489
C1	C2	H8	110.489	C2	C1	H4	110.282
C2	C1	H5	110.742	C2	C1	H6	110.742
C2	S3	H9	96.928	S3	C2	H7	109.209
S3	C2	H8	109.209	H4	C1	H5	108.383
H4	C1	H6	108.383	H5	C1	H6	108.227
H7	C2	H8	108.896

All results from a given calculation for CH₃CH₂SH (ethanethiol)

using model chemistry: CCSD(T)=FULL/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 CH3CH2SH (ethanethiol)

using model chemistry: CCSD(T)=FULL/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₃CH₂SH (ethanethiol)