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	hartrees
Energy at 0K	-476.679296
Energy at 298.15K	-476.683010
HF Energy	-476.452420
Nuclear repulsion energy	93.571779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3256	4.95
2	A'	3189	3189	1.26
3	A'	3164	3164	1.91
4	A'	2710	2710	0.54
5	A'	1648	1648	46.51
6	A'	1439	1439	9.06
7	A'	1314	1314	0.88
8	A'	1094	1094	23.07
9	A'	908	908	4.68
10	A'	708	708	17.55
11	A'	380	380	3.65
12	A"	1000	1000	18.19
13	A"	899	899	43.39
14	A"	609	609	17.00
15	A"	280	280	9.63

Atom	x (Å)	y (Å)
C1	1.286	1.100
C2	0.000	0.758
S3	-0.691	-0.853
H4	2.079	0.367
H5	1.569	2.141
H6	-0.772	1.517
H7	0.464	-1.530

	C1	C2	S3	H4	H5	H6	H7
C1		1.3305	2.7789	1.0803	1.0792	2.0993	2.7554
C2	1.3305		1.7532	2.1160	2.0918	1.0819	2.3349
S3	2.7789	1.7532		3.0271	3.7516	2.3710	1.3390
H4	1.0803	2.1160	3.0271		1.8462	3.0742	2.4915
H5	1.0792	2.0918	3.7516	1.8462		2.4229	3.8340
H6	2.0993	1.0819	2.3710	3.0742	2.4229		3.2878
H7	2.7554	2.3349	1.3390	2.4915	3.8340	3.2878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.094	C1	C2	H6	120.616
C2	C1	H4	122.390	C2	C1	H5	120.106
C2	S3	H7	97.163	S3	C2	H6	111.290
H4	C1	H5	117.504

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)