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	hartrees
Energy at 0K	-127.217082
Energy at 298.15K	-127.224058
HF Energy	-126.904530
Nuclear repulsion energy	101.855871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3066	50.88
2	A'	3134	3019	15.54
3	A'	3095	2980	13.97
4	A'	3064	2951	42.94
5	A'	1529	1473	0.11
6	A'	1507	1452	4.62
7	A'	1302	1254	1.28
8	A'	1220	1175	1.32
9	A'	1005	968	5.07
10	A'	935	900	1.93
11	A'	869	837	3.52
12	A'	679	654	3.01
13	A'	509	490	2.51
14	A'	145	139	1.46
15	A"	3179	3062	2.84
16	A"	3093	2979	75.36
17	A"	1507	1451	0.78
18	A"	1354	1304	11.53
19	A"	1295	1247	18.94
20	A"	1214	1169	1.49
21	A"	1039	1001	0.31
22	A"	990	954	1.14
23	A"	852	821	0.03
24	A"	615	593	0.40

Atom	x (Å)	y (Å)	z (Å)
S1	0.391	1.090	0.000
C2	-0.239	-0.331	1.178
C3	-0.239	-0.331	-1.178
C4	-0.239	-1.377	0.000
H5	-1.244	-0.075	1.544
H6	0.456	-0.509	2.012
H7	-1.244	-0.075	-1.544
H8	0.456	-0.509	-2.012
H9	-1.092	-2.078	0.000
H10	0.704	-1.950	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.9504	1.9504	2.5457	2.5326	2.5707	2.5326	2.5707	3.4975	3.0559
C2	1.9504		2.3564	1.5752	1.1004	1.1001	2.9134	3.2701	2.2729	2.2130
C3	1.9504	2.3564		1.5752	2.9134	3.2701	1.1004	1.1001	2.2729	2.2130
C4	2.5457	1.5752	1.5752		2.2564	2.2991	2.2564	2.2991	1.1042	1.1034
H5	2.5326	1.1004	2.9134	2.2564		1.8164	3.0883	3.9659	2.5339	3.1141
H6	2.5707	1.1001	3.2701	2.2991	1.8164		3.9659	4.0245	2.9846	2.4876
H7	2.5326	2.9134	1.1004	2.2564	3.0883	3.9659		1.8164	2.5339	3.1141
H8	2.5707	3.2701	1.1001	2.2991	3.9659	4.0245	1.8164		2.9846	2.4876
H9	3.4975	2.2729	2.2729	1.1042	2.5339	2.9846	2.5339	2.9846		1.8005
H10	3.0559	2.2130	2.2130	1.1034	3.1141	2.4876	3.1141	2.4876	1.8005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.820	S1	C2	H5	109.025
S1	C2	H6	111.809	S1	C3	C4	91.820
S1	C3	H7	109.025	S1	C3	H8	111.809
C2	S1	C3	74.323	C2	C4	C3	96.830
C2	C4	H9	114.921	C2	C4	H10	110.172
C3	C4	H9	114.921	C3	C4	H10	110.172
C4	C2	H5	113.805	C4	C2	H6	117.388
C4	C3	H7	113.805	C4	C3	H8	117.388
H5	C2	H6	111.271	H7	C3	H8	111.271
H9	C4	H10	109.290

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2/LANL2DZ

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 (Thietane)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₃H₆S (Thietane)