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	hartrees
Energy at 0K	-515.354220
Energy at 298.15K	-515.360910
HF Energy	-514.662524
Nuclear repulsion energy	160.517854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3262	3097	1.66
2	A	3193	3032	10.38
3	A	3171	3011	8.56
4	A	3162	3003	8.47
5	A	3154	2995	9.18
6	A	3068	2913	20.92
7	A	1511	1435	6.09
8	A	1502	1426	3.77
9	A	1490	1414	5.75
10	A	1420	1349	5.77
11	A	1386	1316	5.84
12	A	1208	1147	2.10
13	A	1195	1135	1.29
14	A	1105	1049	13.24
15	A	1066	1012	7.93
16	A	1026	975	3.04
17	A	944	896	3.02
18	A	933	886	1.88
19	A	898	853	2.14
20	A	666	632	5.21
21	A	642	610	13.47
22	A	383	364	0.12
23	A	306	290	1.49
24	A	246	233	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-1.769	-0.296	-0.179
C2	-0.511	0.157	0.505
C3	0.380	1.141	-0.149
S4	1.082	-0.526	-0.056
H5	-1.622	-0.381	-1.255
H6	-2.102	-1.264	0.193
H7	-2.565	0.428	0.004
H8	-0.590	0.232	1.583
H9	0.107	1.492	-1.138
H10	0.869	1.901	0.449

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5012	2.5850	2.8629	1.0890	1.0894	1.0915	2.1846	2.7629	3.4896
C2	1.5012		1.4802	1.8218	2.1493	2.1550	2.1312	1.0836	2.2052	2.2252
C3	2.5850	1.4802		1.8115	2.7475	3.4727	3.0339	2.1834	1.0839	1.0835
S4	2.8629	1.8218	1.8115		2.9618	3.2778	3.7703	2.4608	2.4885	2.4885
H5	1.0890	2.1493	2.7475	2.9618		1.7626	1.7687	3.0812	2.5520	3.7837
H6	1.0894	2.1550	3.4727	3.2778	1.7626		1.7641	2.5401	3.7743	4.3482
H7	1.0915	2.1312	3.0339	3.7703	1.7687	1.7641		2.5361	3.0946	3.7628
H8	2.1846	1.0836	2.1834	2.4608	3.0812	2.5401	2.5361		3.0783	2.4904
H9	2.7629	2.2052	1.0839	2.4885	2.5520	3.7743	3.0946	3.0783		1.8066
H10	3.4896	2.2252	1.0835	2.4885	3.7837	4.3482	3.7628	2.4904	1.8066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.236	C1	C2	S4	118.658
C1	C2	H8	114.410	C2	C1	H5	111.154
C2	C1	H6	111.592	C2	C1	H7	109.562
C2	C3	S4	66.325	C2	C3	H9	117.816
C2	C3	H10	119.652	C2	S4	C3	48.081
C3	C2	S4	65.593	C3	C2	H8	115.917
S4	C2	H8	113.305	S4	C3	H9	116.246
S4	C3	H10	116.270	H5	C1	H6	108.023
H5	C1	H7	108.422	H6	C1	H7	107.979
H9	C3	H10	112.923

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

using model chemistry: MP2/cc-pVTZ

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: MP2/cc-pVTZ

States and conformations

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