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	hartrees
Energy at 0K	-512.484159
Energy at 298.15K	-512.490851
HF Energy	-512.085395
Nuclear repulsion energy	158.771747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	3116	2.76
2	A	3212	3056	6.50
3	A	3181	3026	6.27
4	A	3167	3012	9.83
5	A	3153	2999	11.05
6	A	3081	2931	15.26
7	A	1598	1521	7.65
8	A	1587	1509	4.22
9	A	1564	1488	4.14
10	A	1498	1425	6.50
11	A	1422	1353	5.40
12	A	1241	1180	3.40
13	A	1199	1141	7.14
14	A	1159	1102	22.48
15	A	1125	1070	3.70
16	A	1080	1027	3.74
17	A	989	940	4.91
18	A	958	912	2.67
19	A	883	840	2.37
20	A	635	604	1.28
21	A	601	572	18.58
22	A	401	382	0.16
23	A	313	298	1.65
24	A	242	230	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-1.783	-0.308	-0.184
C2	-0.518	0.160	0.522
C3	0.370	1.164	-0.158
S4	1.095	-0.529	-0.056
H5	-1.601	-0.387	-1.260
H6	-2.093	-1.290	0.187
H7	-2.595	0.408	-0.008
H8	-0.590	0.243	1.603
H9	0.082	1.486	-1.154
H10	0.859	1.917	0.451

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5225	2.6084	2.8894	1.0948	1.0944	1.0968	2.2179	2.7637	3.5115
C2	1.5225		1.5030	1.8467	2.1561	2.1670	2.1580	1.0861	2.2196	2.2329
C3	2.6084	1.5030		1.8443	2.7395	3.4940	3.0637	2.2065	1.0855	1.0845
S4	2.8894	1.8467	1.8443		2.9558	3.2867	3.8074	2.4874	2.5080	2.5091
H5	1.0948	2.1561	2.7395	2.9558		1.7757	1.7859	3.1009	2.5200	3.7794
H6	1.0944	2.1670	3.4940	3.2867	1.7757		1.7813	2.5719	3.7729	4.3663
H7	1.0968	2.1580	3.0637	3.8074	1.7859	1.7813		2.5770	3.1051	3.7964
H8	2.2179	1.0861	2.2065	2.4874	3.1009	2.5719	2.5770		3.0972	2.4948
H9	2.7637	2.2196	1.0855	2.5080	2.5200	3.7729	3.1051	3.0972		1.8341
H10	3.5115	2.2329	1.0845	2.5091	3.7794	4.3663	3.7964	2.4948	1.8341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.118	C1	C2	S4	117.769
C1	C2	H8	115.450	C2	C1	H5	109.853
C2	C1	H6	110.739	C2	C1	H7	109.880
C2	C3	S4	66.056	C2	C3	H9	117.153
C2	C3	H10	118.402	C2	S4	C3	48.057
C3	C2	S4	65.886	C3	C2	H8	115.973
S4	C2	H8	113.461	S4	C3	H9	115.284
S4	C3	H10	115.430	H5	C1	H6	108.412
H5	C1	H7	109.150	H6	C1	H7	108.769
H9	C3	H10	115.386

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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