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	hartrees
Energy at 0K	-476.017173
Energy at 298.15K	-476.020845
HF Energy	-475.576303
Nuclear repulsion energy	92.614266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	3193	4.85
2	A'	3222	3122	2.32
3	A'	3187	3088	1.55
4	A'	2745	2661	0.55
5	A'	1638	1588	39.58
6	A'	1423	1379	9.14
7	A'	1294	1254	1.66
8	A'	1078	1045	21.20
9	A'	888	861	4.20
10	A'	713	691	17.83
11	A'	376	365	4.09
12	A"	977	947	24.69
13	A"	884	856	37.40
14	A"	600	582	16.12
15	A"	262	254	11.29

Atom	x (Å)	y (Å)
C1	1.308	1.100
C2	0.000	0.766
S3	-0.703	-0.857
H4	2.101	0.348
H5	1.599	2.152
H6	-0.771	1.542
H7	0.467	-1.531

	C1	C2	S3	H4	H5	H6	H7
C1		1.3503	2.8063	1.0924	1.0912	2.1262	2.7623
C2	1.3503		1.7690	2.1420	2.1157	1.0940	2.3443
S3	2.8063	1.7690		3.0514	3.7883	2.4003	1.3500
H4	1.0924	2.1420	3.0514		1.8725	3.1104	2.4897
H5	1.0912	2.1157	3.7883	1.8725		2.4473	3.8529
H6	2.1262	1.0940	2.4003	3.1104	2.4473		3.3133
H7	2.7623	2.3443	1.3500	2.4897	3.8529	3.3133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.714	C1	C2	H6	120.520
C2	C1	H4	122.178	C2	C1	H5	119.744
C2	S3	H7	96.540	S3	C2	H6	111.766
H4	C1	H5	118.078

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: MP2=FULL/aug-cc-pVDZ

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 CH2CHSH (Ethenethiol)

using model chemistry: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)