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	hartrees
Energy at 0K	-515.203977
Energy at 298.15K	-515.210609
Nuclear repulsion energy	158.814271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3261	3127	1.74
2	A	3188	3057	10.69
3	A	3164	3034	10.57
4	A	3155	3025	8.82
5	A	3145	3016	11.07
6	A	3054	2929	24.49
7	A	1486	1425	5.16
8	A	1482	1421	5.46
9	A	1467	1407	5.05
10	A	1404	1347	5.23
11	A	1368	1312	5.19
12	A	1200	1151	2.40
13	A	1185	1136	0.99
14	A	1085	1041	11.87
15	A	1046	1003	7.11
16	A	1010	969	2.84
17	A	930	892	3.31
18	A	915	878	1.57
19	A	889	853	2.09
20	A	639	613	10.38
21	A	621	595	10.08
22	A	385	369	0.09
23	A	303	290	1.53
24	A	239	229	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-1.774	-0.314	-0.180
C2	-0.522	0.176	0.515
C3	0.361	1.165	-0.159
S4	1.093	-0.531	-0.054
H5	-1.603	-0.375	-1.266
H6	-2.061	-1.312	0.182
H7	-2.610	0.380	0.014
H8	-0.573	0.248	1.606
H9	0.091	1.473	-1.173
H10	0.873	1.915	0.449

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5126	2.5967	2.8782	1.1008	1.1006	1.1037	2.2243	2.7672	3.5170
C2	1.5126		1.4874	1.8528	2.1544	2.1662	2.1566	1.0954	2.2157	2.2311
C3	2.5967	1.4874		1.8505	2.7303	3.4812	3.0774	2.1977	1.0941	1.0928
S4	2.8782	1.8528	1.8505		2.9607	3.2583	3.8144	2.4782	2.5046	2.5068
H5	1.1008	2.1544	2.7303	2.9607		1.7847	1.7945	3.1143	2.5090	3.7838
H6	1.1006	2.1662	3.4812	3.2583	1.7847		1.7874	2.5838	3.7721	4.3701
H7	1.1037	2.1566	3.0774	3.8144	1.7945	1.7874		2.5888	3.1465	3.8311
H8	2.2243	1.0954	2.1977	2.4782	3.1143	2.5838	2.5888		3.1098	2.4925
H9	2.7672	2.2157	1.0941	2.5046	2.5090	3.7721	3.1465	3.1098		1.8543
H10	3.5170	2.2311	1.0928	2.5068	3.7838	4.3701	3.8311	2.4925	1.8543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.895	C1	C2	S4	117.211
C1	C2	H8	116.135	C2	C1	H5	110.054
C2	C1	H6	110.995	C2	C1	H7	110.056
C2	C3	S4	66.402	C2	C3	H9	117.450
C2	C3	H10	118.903	C2	S4	C3	47.360
C3	C2	S4	66.238	C3	C2	H8	115.789
S4	C2	H8	111.818	S4	C3	H9	114.078
S4	C3	H10	114.315	H5	C1	H6	108.332
H5	C1	H7	108.982	H6	C1	H7	108.366
H9	C3	H10	115.971

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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