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	hartrees
Energy at 0K	-515.136393
Energy at 298.15K	-515.143130
HF Energy	-514.585112
Nuclear repulsion energy	159.989773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3287	3085	4.09
2	A	3222	3025	12.44
3	A	3199	3003	11.33
4	A	3194	2998	8.84
5	A	3177	2982	13.35
6	A	3101	2910	20.56
7	A	1557	1462	6.03
8	A	1555	1460	5.14
9	A	1542	1447	4.74
10	A	1482	1391	4.76
11	A	1439	1351	5.69
12	A	1245	1168	4.86
13	A	1229	1154	2.83
14	A	1158	1087	18.37
15	A	1120	1051	10.06
16	A	1066	1000	3.81
17	A	977	917	2.53
18	A	966	907	3.29
19	A	924	868	2.05
20	A	685	643	10.19
21	A	660	619	12.63
22	A	398	374	0.20
23	A	313	294	1.35
24	A	240	225	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.778	-0.299	-0.178
C2	-0.510	0.154	0.506
C3	0.374	1.148	-0.151
S4	1.088	-0.525	-0.057
H5	-1.622	-0.371	-1.258
H6	-2.094	-1.280	0.188
H7	-2.584	0.418	0.014
H8	-0.578	0.231	1.589
H9	0.098	1.482	-1.148
H10	0.856	1.902	0.462

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5101	2.5928	2.8774	1.0935	1.0933	1.0961	2.2014	2.7625	3.4919
C2	1.5101		1.4840	1.8257	2.1508	2.1595	2.1476	1.0875	2.2071	2.2195
C3	2.5928	1.4840		1.8210	2.7413	3.4779	3.0509	2.1849	1.0865	1.0856
S4	2.8774	1.8257	1.8210		2.9687	3.2796	3.7920	2.4608	2.4892	2.4925
H5	1.0935	2.1508	2.7413	2.9687		1.7718	1.7798	3.0923	2.5309	3.7775
H6	1.0933	2.1595	3.4779	3.2796	1.7718		1.7754	2.5586	3.7704	4.3476
H7	1.0961	2.1476	3.0509	3.7920	1.7798	1.7754		2.5575	3.1110	3.7733
H8	2.2014	1.0875	2.1849	2.4608	3.0923	2.5586	2.5575		3.0841	2.4731
H9	2.7625	2.2071	1.0865	2.4892	2.5309	3.7704	3.1110	3.0841		1.8285
H10	3.4919	2.2195	1.0856	2.4925	3.7775	4.3476	3.7733	2.4731	1.8285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.986	C1	C2	S4	118.917
C1	C2	H8	114.905	C2	C1	H5	110.373
C2	C1	H6	111.084	C2	C1	H7	109.965
C2	C3	S4	66.150	C2	C3	H9	117.491
C2	C3	H10	118.657	C2	S4	C3	48.026
C3	C2	S4	65.823	C3	C2	H8	115.485
S4	C2	H8	112.813	S4	C3	H9	115.437
S4	C3	H10	115.753	H5	C1	H6	108.235
H5	C1	H7	108.751	H6	C1	H7	108.365
H9	C3	H10	114.667

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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