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	hartrees
Energy at 0K	-471.356027
Energy at 298.15K	-471.359758
HF Energy	-471.356027
Nuclear repulsion energy	92.929403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3568	3157	0.24
2	A'	3465	3067	1.31
3	A'	3413	3020	27.06
4	A'	2998	2653	18.77
5	A'	1825	1615	28.72
6	A'	1571	1390	8.00
7	A'	1411	1248	0.36
8	A'	1200	1062	19.80
9	A'	1024	906	3.88
10	A'	815	722	11.85
11	A'	407	360	2.09
12	A"	1098	971	10.07
13	A"	931	824	25.27
14	A"	639	566	3.46
15	A"	373	330	12.61

Atom	x (Å)	y (Å)
C1	1.298	1.092
C2	0.000	0.763
S3	-0.702	-0.854
H4	2.096	0.343
H5	1.614	2.139
H6	-0.763	1.553
H7	0.496	-1.499

	C1	C2	S3	H4	H5	H6	H7
C1		1.3386	2.7900	1.0945	1.0936	2.1114	2.7125
C2	1.3386		1.7629	2.1378	2.1203	1.0979	2.3162
S3	2.7900	1.7629		3.0433	3.7838	2.4076	1.3601
H4	1.0945	2.1378	3.0433		1.8592	3.1043	2.4407
H5	1.0936	2.1203	3.7838	1.8592		2.4476	3.8060
H6	2.1114	1.0979	2.4076	3.1043	2.4476		3.3014
H7	2.7125	2.3162	1.3601	2.4407	3.8060	3.3014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.668	C1	C2	H6	119.802
C2	C1	H4	122.637	C2	C1	H5	121.005
C2	S3	H7	94.867	S3	C2	H6	112.530
H4	C1	H5	116.358

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B3PW91/STO-3G

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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Number	Element	Mulliken
1	C	-0.194
2	C	-0.183
3	S	0.141
4	H	0.068
5	H	0.078
6	H	0.086
7	H	0.003

	x	y	z	Total
	0.328	-0.339	0.000	0.472
CHELPG
AIM
ESP

	x	y	z
x	3.858	0.807	0.000
y	0.807	3.862	0.000
z	0.000	0.000	0.522

<r²>	72.062
(<r²>)^1/2	8.489

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)