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	hartrees
Energy at 0K	-515.258895
Energy at 298.15K	-515.265584
HF Energy	-514.608031
Nuclear repulsion energy	160.387298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3290	3108	0.45
2	A	3220	3041	8.63
3	A	3205	3027	3.52
4	A	3190	3013	7.02
5	A	3187	3010	4.46
6	A	3099	2927	14.99
7	A	1524	1439	5.76
8	A	1513	1429	4.21
9	A	1496	1413	5.35
10	A	1432	1353	4.57
11	A	1392	1315	6.70
12	A	1214	1147	2.53
13	A	1199	1133	1.32
14	A	1112	1050	14.29
15	A	1073	1014	8.18
16	A	1032	974	3.22
17	A	948	895	3.57
18	A	937	885	2.34
19	A	902	852	1.86
20	A	675	638	5.67
21	A	650	614	14.34
22	A	384	363	0.13
23	A	307	290	1.51
24	A	243	230	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-1.773	-0.291	-0.180
C2	-0.510	0.158	0.505
C3	0.387	1.141	-0.149
S4	1.079	-0.529	-0.056
H5	-1.630	-0.377	-1.258
H6	-2.110	-1.260	0.194
H7	-2.568	0.436	0.007
H8	-0.588	0.231	1.586
H9	0.121	1.494	-1.141
H10	0.883	1.899	0.450

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5048	2.5917	2.8647	1.0910	1.0915	1.0936	2.1892	2.7746	3.4995
C2	1.5048		1.4827	1.8204	2.1559	2.1599	2.1353	1.0859	2.2118	2.2305
C3	2.5917	1.4827		1.8103	2.7575	3.4806	3.0418	2.1878	1.0861	1.0858
S4	2.8647	1.8204	1.8103		2.9677	3.2811	3.7733	2.4601	2.4875	2.4881
H5	1.0910	2.1559	2.7575	2.9677		1.7655	1.7719	3.0888	2.5656	3.7965
H6	1.0915	2.1599	3.4806	3.2811	1.7655		1.7668	2.5444	3.7872	4.3589
H7	1.0936	2.1353	3.0418	3.7733	1.7719	1.7668		2.5410	3.1093	3.7743
H8	2.1892	1.0859	2.1878	2.4601	3.0888	2.5444	2.5410		3.0875	2.4973
H9	2.7746	2.2118	1.0861	2.4875	2.5656	3.7872	3.1093	3.0875		1.8096
H10	3.4995	2.2305	1.0858	2.4881	3.7965	4.3589	3.7743	2.4973	1.8096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	120.342	C1	C2	S4	118.661
C1	C2	H8	114.380	C2	C1	H5	111.305
C2	C1	H6	111.601	C2	C1	H7	109.510
C2	C3	S4	66.257	C2	C3	H9	118.040
C2	C3	H10	119.752	C2	S4	C3	48.204
C3	C2	S4	65.540	C3	C2	H8	115.953
S4	C2	H8	113.224	S4	C3	H9	116.109
S4	C3	H10	116.184	H5	C1	H6	107.980
H5	C1	H7	108.410	H6	C1	H7	107.918
H9	C3	H10	112.857

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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