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	hartrees
Energy at 0K	-515.438243
Energy at 298.15K	-515.444973
HF Energy	-514.662664
Nuclear repulsion energy	161.184084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3265	3100	1.58
2	A	3206	3044	8.48
3	A	3181	3020	9.77
4	A	3174	3013	8.06
5	A	3157	2998	8.87
6	A	3085	2929	20.87
7	A	1522	1445	6.54
8	A	1511	1435	3.79
9	A	1499	1423	5.81
10	A	1429	1357	6.34
11	A	1395	1325	5.41
12	A	1217	1156	2.06
13	A	1203	1142	1.47
14	A	1117	1060	13.41
15	A	1074	1020	7.86
16	A	1035	982	3.22
17	A	951	903	3.10
18	A	939	891	1.79
19	A	907	861	2.20
20	A	675	641	4.47
21	A	651	618	13.78
22	A	388	368	0.12
23	A	311	295	1.46
24	A	252	239	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-1.760	-0.297	-0.179
C2	-0.510	0.155	0.504
C3	0.375	1.138	-0.149
S4	1.079	-0.523	-0.056
H5	-1.609	-0.381	-1.251
H6	-2.090	-1.263	0.192
H7	-2.555	0.424	0.001
H8	-0.590	0.230	1.577
H9	0.101	1.486	-1.134
H10	0.859	1.897	0.447

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.4941	2.5724	2.8505	1.0857	1.0860	1.0881	2.1747	2.7484	3.4734
C2	1.4941		1.4745	1.8161	2.1385	2.1457	2.1225	1.0788	2.1965	2.2161
C3	2.5724	1.4745		1.8066	2.7310	3.4576	3.0192	2.1754	1.0799	1.0793
S4	2.8505	1.8161	1.8066		2.9449	3.2634	3.7556	2.4532	2.4811	2.4812
H5	1.0857	2.1385	2.7310	2.9449		1.7577	1.7638	3.0671	2.5348	3.7635
H6	1.0860	2.1457	3.4576	3.2634	1.7577		1.7600	2.5292	3.7568	4.3297
H7	1.0881	2.1225	3.0192	3.7556	1.7638	1.7600		2.5259	3.0773	3.7450
H8	2.1747	1.0788	2.1754	2.4532	3.0671	2.5292	2.5259		3.0661	2.4811
H9	2.7484	2.1965	1.0799	2.4811	2.5348	3.7568	3.0773	3.0661		1.8002
H10	3.4734	2.2161	1.0793	2.4812	3.7635	4.3297	3.7450	2.4811	1.8002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.115	C1	C2	S4	118.560
C1	C2	H8	114.425	C2	C1	H5	110.986
C2	C1	H6	111.555	C2	C1	H7	109.564
C2	C3	S4	66.323	C2	C3	H9	117.779
C2	C3	H10	119.606	C2	S4	C3	48.033
C3	C2	S4	65.644	C3	C2	H8	115.995
S4	C2	H8	113.396	S4	C3	H9	116.247
S4	C3	H10	116.302	H5	C1	H6	108.068
H5	C1	H7	108.467	H6	C1	H7	108.101
H9	C3	H10	112.962

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

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

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