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	hartrees
Energy at 0K	-515.101257
Energy at 298.15K	-515.107996
HF Energy	-514.585133
Nuclear repulsion energy	160.182146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3288	3101	2.84
2	A	3218	3034	14.33
3	A	3203	3021	7.02
4	A	3193	3011	6.78
5	A	3190	3008	10.39
6	A	3102	2925	18.47
7	A	1560	1471	6.94
8	A	1553	1464	4.61
9	A	1542	1454	4.69
10	A	1473	1389	4.92
11	A	1432	1351	6.24
12	A	1244	1173	4.42
13	A	1227	1157	2.29
14	A	1153	1087	16.97
15	A	1116	1052	11.30
16	A	1063	1003	4.19
17	A	975	920	2.43
18	A	966	911	4.01
19	A	923	870	2.06
20	A	682	643	9.04
21	A	658	620	11.01
22	A	397	375	0.22
23	A	312	294	1.38
24	A	247	233	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-1.776	-0.295	-0.179
C2	-0.510	0.152	0.503
C3	0.380	1.140	-0.148
S4	1.086	-0.525	-0.057
H5	-1.632	-0.379	-1.259
H6	-2.114	-1.266	0.194
H7	-2.571	0.436	0.009
H8	-0.590	0.227	1.586
H9	0.107	1.496	-1.140
H10	0.865	1.905	0.456

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5058	2.5901	2.8740	1.0934	1.0940	1.0959	2.1896	2.7709	3.4957
C2	1.5058		1.4808	1.8220	2.1559	2.1631	2.1377	1.0884	2.2109	2.2289
C3	2.5901	1.4808		1.8110	2.7554	3.4824	3.0372	2.1865	1.0887	1.0885
S4	2.8740	1.8220	1.8110		2.9761	3.2943	3.7814	2.4643	2.4932	2.4932
H5	1.0934	2.1559	2.7554	2.9761		1.7696	1.7762	3.0904	2.5604	3.7943
H6	1.0940	2.1631	3.4824	3.2943	1.7696		1.7725	2.5476	3.7873	4.3592
H7	1.0959	2.1377	3.0372	3.7814	1.7762	1.7725		2.5403	3.1006	3.7632
H8	2.1896	1.0884	2.1865	2.4643	3.0904	2.5476	2.5403		3.0868	2.4925
H9	2.7709	2.2109	1.0887	2.4932	2.5604	3.7873	3.1006	3.0868		1.8132
H10	3.4957	2.2289	1.0885	2.4932	3.7943	4.3592	3.7632	2.4925	1.8132

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.280	C1	C2	S4	119.150
C1	C2	H8	114.176	C2	C1	H5	111.093
C2	C1	H6	111.641	C2	C1	H7	109.491
C2	C3	S4	66.337	C2	C3	H9	117.922
C2	C3	H10	119.567	C2	S4	C3	48.105
C3	C2	S4	65.559	C3	C2	H8	115.817
S4	C2	H8	113.294	S4	C3	H9	116.355
S4	C3	H10	116.374	H5	C1	H6	108.000
H5	C1	H7	108.444	H6	C1	H7	108.067
H9	C3	H10	112.781

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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