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	hartrees
Energy at 0K	-474.216703
Energy at 298.15K	-474.220452
HF Energy	-474.109612
Nuclear repulsion energy	93.085946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3268	7.76
2	A'	3207	3207	2.34
3	A'	3182	3182	2.11
4	A'	2728	2728	7.67
5	A'	1665	1665	26.54
6	A'	1501	1501	8.32
7	A'	1367	1367	0.38
8	A'	1143	1143	24.81
9	A'	953	953	8.51
10	A'	697	697	16.40
11	A'	400	400	3.46
12	A"	1026	1026	24.84
13	A"	937	937	58.82
14	A"	622	622	15.40
15	A"	274	274	20.70

Atom	x (Å)	y (Å)
C1	1.294	1.100
C2	0.000	0.767
S3	-0.696	-0.857
H4	2.085	0.359
H5	1.595	2.140
H6	-0.770	1.531
H7	0.468	-1.526

	C1	C2	S3	H4	H5	H6	H7
C1		1.3358	2.7910	1.0839	1.0827	2.1080	2.7523
C2	1.3358		1.7672	2.1246	2.1041	1.0846	2.3404
S3	2.7910	1.7672		3.0356	3.7723	2.3895	1.3431
H4	1.0839	2.1246	3.0356		1.8470	3.0861	2.4832
H5	1.0827	2.1041	3.7723	1.8470		2.4414	3.8348
H6	2.1080	1.0846	2.3895	3.0861	2.4414		3.2984
H7	2.7523	2.3404	1.3431	2.4832	3.8348	3.2984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.623	C1	C2	H6	120.791
C2	C1	H4	122.474	C2	C1	H5	120.560
C2	S3	H7	96.659	S3	C2	H6	111.586
H4	C1	H5	116.966

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B2PLYP=FULL/3-21G*

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: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)