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	hartrees
Energy at 0K	-475.996601
Energy at 298.15K	-476.000226
HF Energy	-475.554325
Nuclear repulsion energy	93.007506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3133	9.90
2	A'	3251	3074	4.12
3	A'	3218	3042	3.80
4	A'	2772	2621	9.54
5	A'	1691	1599	29.53
6	A'	1471	1391	9.05
7	A'	1344	1270	0.86
8	A'	1117	1056	28.03
9	A'	937	885	7.43
10	A'	722	682	14.15
11	A'	385	364	3.95
12	A"	997	943	30.12
13	A"	871	823	43.57
14	A"	593	561	16.91
15	A"	217	205	13.16

Atom	x (Å)	y (Å)
C1	1.298	1.103
C2	0.000	0.766
S3	-0.698	-0.858
H4	2.089	0.363
H5	1.590	2.144
H6	-0.766	1.533
H7	0.463	-1.519

	C1	C2	S3	H4	H5	H6	H7
C1		1.3412	2.7982	1.0828	1.0812	2.1085	2.7511
C2	1.3412		1.7680	2.1277	2.1036	1.0836	2.3313
S3	2.7982	1.7680		3.0429	3.7743	2.3919	1.3358
H4	1.0828	2.1277	3.0429		1.8494	3.0853	2.4869
H5	1.0812	2.1036	3.7743	1.8494		2.4336	3.8318
H6	2.1085	1.0836	2.3919	3.0853	2.4336		3.2896
H7	2.7511	2.3313	1.3358	2.4869	3.8318	3.2896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.781	C1	C2	H6	120.446
C2	C1	H4	122.389	C2	C1	H5	120.171
C2	S3	H7	96.380	S3	C2	H6	111.773
H4	C1	H5	117.439

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)