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	hartrees
Energy at 0K	-515.170683
Energy at 298.15K	-515.177364
HF Energy	-514.612104
Nuclear repulsion energy	159.223942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3266	3111	3.24
2	A	3199	3047	17.08
3	A	3184	3032	5.90
4	A	3174	3023	9.40
5	A	3162	3011	8.67
6	A	3077	2931	23.53
7	A	1493	1423	4.09
8	A	1490	1419	5.55
9	A	1476	1406	5.38
10	A	1419	1351	3.49
11	A	1378	1312	5.59
12	A	1210	1152	2.88
13	A	1189	1132	1.24
14	A	1102	1050	12.84
15	A	1063	1013	9.30
16	A	1022	973	3.18
17	A	940	895	3.83
18	A	929	885	1.98
19	A	899	857	2.12
20	A	667	636	9.32
21	A	645	615	8.01
22	A	385	367	0.21
23	A	306	291	1.46
24	A	245	234	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.776	-0.304	-0.180
C2	-0.516	0.165	0.512
C3	0.372	1.156	-0.156
S4	1.089	-0.530	-0.055
H5	-1.612	-0.369	-1.267
H6	-2.080	-1.299	0.183
H7	-2.603	0.403	0.015
H8	-0.579	0.244	1.605
H9	0.096	1.481	-1.166
H10	0.873	1.912	0.458

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5122	2.5978	2.8772	1.1019	1.1019	1.1047	2.2178	2.7685	3.5125
C2	1.5122		1.4888	1.8389	2.1570	2.1678	2.1579	1.0978	2.2183	2.2327
C3	2.5978	1.4888		1.8341	2.7385	3.4867	3.0737	2.1994	1.0964	1.0955
S4	2.8772	1.8389	1.8341		2.9652	3.2703	3.8085	2.4778	2.5023	2.5045
H5	1.1019	2.1570	2.7385	2.9652		1.7851	1.7953	3.1134	2.5203	3.7893
H6	1.1019	2.1678	3.4867	3.2703	1.7851		1.7883	2.5803	3.7795	4.3716
H7	1.1047	2.1579	3.0737	3.8085	1.7953	1.7883		2.5779	3.1371	3.8151
H8	2.2178	1.0978	2.1994	2.4778	3.1134	2.5803	2.5779		3.1086	2.4913
H9	2.7685	2.2183	1.0964	2.5023	2.5203	3.7795	3.1371	3.1086		1.8513
H10	3.5125	2.2327	1.0955	2.5045	3.7893	4.3716	3.8151	2.4913	1.8513

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.912	C1	C2	S4	117.991
C1	C2	H8	115.451	C2	C1	H5	110.218
C2	C1	H6	111.076	C2	C1	H7	110.127
C2	C3	S4	66.255	C2	C3	H9	117.394
C2	C3	H10	118.732	C2	S4	C3	47.825
C3	C2	S4	65.920	C3	C2	H8	115.661
S4	C2	H8	112.619	S4	C3	H9	114.932
S4	C3	H10	115.158	H5	C1	H6	108.191
H5	C1	H7	108.893	H6	C1	H7	108.270
H9	C3	H10	115.263

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

using model chemistry: MP2/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/cc-pVDZ

States and conformations

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