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	hartrees
Energy at 0K	-514.832745
Energy at 298.15K	-514.839293
HF Energy	-514.502923
Nuclear repulsion energy	154.174653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3262	3149	7.93
2	A	3182	3071	13.72
3	A	3147	3037	14.37
4	A	3133	3025	20.29
5	A	3113	3005	21.38
6	A	3016	2911	31.25
7	A	1534	1481	10.92
8	A	1522	1469	2.84
9	A	1510	1458	7.49
10	A	1466	1415	6.71
11	A	1404	1355	2.08
12	A	1230	1187	3.51
13	A	1204	1162	6.85
14	A	1151	1111	38.12
15	A	1129	1090	2.22
16	A	1035	999	3.18
17	A	964	931	5.71
18	A	926	894	3.26
19	A	886	855	4.83
20	A	563	544	5.04
21	A	545	526	7.37
22	A	394	380	0.21
23	A	292	282	1.76
24	A	242	233	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-1.810	-0.373	-0.183
C2	-0.564	0.177	0.520
C3	0.290	1.214	-0.164
S4	1.170	-0.520	-0.052
H5	-1.636	-0.447	-1.271
H6	-2.071	-1.378	0.193
H7	-2.670	0.301	-0.009
H8	-0.622	0.243	1.613
H9	0.016	1.505	-1.183
H10	0.762	1.987	0.448

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5331	2.6324	2.9867	1.1042	1.1037	1.1071	2.2396	2.8044	3.5476
C2	1.5331		1.5069	1.9543	2.1789	2.1900	2.1756	1.0964	2.2360	2.2448
C3	2.6324	1.5069		1.9477	2.7740	3.5236	3.1019	2.2204	1.0945	1.0931
S4	2.9867	1.9543	1.9477		3.0607	3.3613	3.9277	2.5622	2.5909	2.5888
H5	1.1042	2.1789	2.7740	3.0607		1.7880	1.7955	3.1338	2.5597	3.8252
H6	1.1037	2.1900	3.5236	3.3613	1.7880		1.7942	2.5965	3.8158	4.4059
H7	1.1071	2.1756	3.1019	3.9277	1.7955	1.7942		2.6129	3.1700	3.8515
H8	2.2396	1.0964	2.2204	2.5622	3.1338	2.5965	2.6129		3.1330	2.5130
H9	2.8044	2.2360	1.0945	2.5909	2.5597	3.8158	3.1700	3.1330		1.8564
H10	3.5476	2.2448	1.0931	2.5888	3.8252	4.4059	3.8515	2.5130	1.8564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.967	C1	C2	S4	117.326
C1	C2	H8	115.802	C2	C1	H5	110.353
C2	C1	H6	111.263	C2	C1	H7	109.928
C2	C3	S4	67.514	C2	C3	H9	117.650
C2	C3	H10	118.522	C2	S4	C3	45.435
C3	C2	S4	67.051	C3	C2	H8	116.175
S4	C2	H8	111.115	S4	C3	H9	113.810
S4	C3	H10	113.727	H5	C1	H6	108.153
H5	C1	H7	108.573	H6	C1	H7	108.498
H9	C3	H10	116.119

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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