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	hartrees
Energy at 0K	-515.302968
Energy at 298.15K	-515.309656
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3273	3095	1.67
2	A	3207	3032	9.70
3	A	3180	3007	13.07
4	A	3178	3005	2.87
5	A	3160	2988	10.85
6	A	3084	2916	19.05
7	A	1528	1444	4.85
8	A	1521	1438	4.08
9	A	1508	1426	4.93
10	A	1449	1370	3.49
11	A	1406	1329	6.56
12	A	1215	1148	2.88
13	A	1207	1142	1.83
14	A	1125	1064	16.72
15	A	1086	1027	7.60
16	A	1040	983	2.66
17	A	953	901	2.94
18	A	938	887	2.11
19	A	904	855	1.58
20	A	671	635	5.68
21	A	644	609	19.39
22	A	386	365	0.12
23	A	308	291	1.40
24	A	237	224	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.779	-0.290	-0.179
C2	-0.510	0.157	0.504
C3	0.391	1.142	-0.148
S4	1.081	-0.531	-0.056
H5	-1.640	-0.377	-1.259
H6	-2.118	-1.258	0.196
H7	-2.573	0.440	0.007
H8	-0.590	0.230	1.584
H9	0.126	1.500	-1.139
H10	0.885	1.900	0.452

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5093	2.6004	2.8729	1.0921	1.0927	1.0948	2.1901	2.7845	3.5060
C2	1.5093		1.4860	1.8219	2.1618	2.1646	2.1413	1.0855	2.2152	2.2329
C3	2.6004	1.4860		1.8119	2.7696	3.4898	3.0508	2.1900	1.0861	1.0857
S4	2.8729	1.8219	1.8119		2.9793	3.2908	3.7818	2.4624	2.4912	2.4913
H5	1.0921	2.1618	2.7696	2.9793		1.7670	1.7728	3.0918	2.5804	3.8069
H6	1.0927	2.1646	3.4898	3.2908	1.7670		1.7682	2.5456	3.7983	4.3658
H7	1.0948	2.1413	3.0508	3.7818	1.7728	1.7682		2.5429	3.1187	3.7803
H8	2.1901	1.0855	2.1900	2.4624	3.0918	2.5456	2.5429		3.0888	2.4989
H9	2.7845	2.2152	1.0861	2.4912	2.5804	3.7983	3.1187	3.0888		1.8078
H10	3.5060	2.2329	1.0857	2.4913	3.8069	4.3658	3.7803	2.4989	1.8078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.490	C1	C2	S4	118.879
C1	C2	H8	114.137	C2	C1	H5	111.399
C2	C1	H6	111.589	C2	C1	H7	109.595
C2	C3	S4	66.213	C2	C3	H9	118.085
C2	C3	H10	119.707	C2	S4	C3	48.274
C3	C2	S4	65.512	C3	C2	H8	115.908
S4	C2	H8	113.319	S4	C3	H9	116.290
S4	C3	H10	116.324	H5	C1	H6	107.956
H5	C1	H7	108.313	H6	C1	H7	107.864
H9	C3	H10	112.691

All results from a given calculation for C₃H₆S (Thiirane, methyl-)

using model chemistry: CCSD/6-31G(2df,p)

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 C3H6S (Thiirane, methyl-)

using model chemistry: CCSD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₆S (Thiirane, methyl-)