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	hartrees
Energy at 0K	-515.175909
Energy at 298.15K	-515.182672
HF Energy	-514.595218
Nuclear repulsion energy	160.647732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3319	3101	3.54
2	A	3247	3034	17.68
3	A	3234	3022	6.11
4	A	3221	3010	11.26
5	A	3218	3007	8.31
6	A	3127	2922	20.37
7	A	1559	1456	5.52
8	A	1554	1452	5.11
9	A	1542	1441	3.47
10	A	1472	1375	3.45
11	A	1429	1336	6.86
12	A	1243	1162	4.45
13	A	1226	1146	2.17
14	A	1152	1076	16.83
15	A	1118	1045	10.26
16	A	1062	992	3.60
17	A	975	911	2.34
18	A	964	901	2.97
19	A	924	863	1.87
20	A	685	640	8.65
21	A	662	618	10.62
22	A	396	370	0.21
23	A	313	293	1.21
24	A	251	234	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-1.768	-0.301	-0.178
C2	-0.509	0.152	0.507
C3	0.367	1.144	-0.152
S4	1.085	-0.521	-0.057
H5	-1.608	-0.367	-1.251
H6	-2.082	-1.278	0.181
H7	-2.573	0.410	0.014
H8	-0.574	0.232	1.586
H9	0.087	1.471	-1.144
H10	0.847	1.897	0.457

	C1	C2	C3	S4	H5	H6	H7	H8	H9	H10
C1		1.5037	2.5784	2.8646	1.0875	1.0875	1.0900	2.1952	2.7410	3.4746
C2	1.5037		1.4783	1.8196	2.1382	2.1511	2.1376	1.0833	2.1955	2.2102
C3	2.5784	1.4783		1.8153	2.7196	3.4605	3.0346	2.1766	1.0817	1.0808
S4	2.8646	1.8196	1.8153		2.9505	3.2648	3.7749	2.4531	2.4792	2.4835
H5	1.0875	2.1382	2.7196	2.9505		1.7620	1.7705	3.0785	2.5028	3.7516
H6	1.0875	2.1511	3.4605	3.2648	1.7620		1.7660	2.5547	3.7437	4.3286
H7	1.0900	2.1376	3.0346	3.7749	1.7705	1.7660		2.5485	3.0883	3.7550
H8	2.1952	1.0833	2.1766	2.4531	3.0785	2.5547	2.5485		3.0698	2.4632
H9	2.7410	2.1955	1.0817	2.4792	2.5028	3.7437	3.0883	3.0698		1.8228
H10	3.4746	2.2102	1.0808	2.4835	3.7516	4.3286	3.7550	2.4632	1.8228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	119.687	C1	C2	S4	118.766
C1	C2	H8	115.137	C2	C1	H5	110.178
C2	C1	H6	111.215	C2	C1	H7	109.979
C2	C3	S4	66.157	C2	C3	H9	117.261
C2	C3	H10	118.640	C2	S4	C3	47.994
C3	C2	S4	65.849	C3	C2	H8	115.499
S4	C2	H8	112.884	S4	C3	H9	115.346
S4	C3	H10	115.741	H5	C1	H6	108.211
H5	C1	H7	108.798	H6	C1	H7	108.394
H9	C3	H10	114.893

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

using model chemistry: MP2=FULL/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=FULL/6-31G**

States and conformations

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