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	hartrees
Energy at 0K	-515.056912
Energy at 298.15K	-515.064134
HF Energy	-514.581262
Nuclear repulsion energy	164.911941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	3013	30.69
2	A'	3228	2981	10.70
3	A'	3198	2954	15.06
4	A'	3176	2933	30.44
5	A'	1607	1485	1.54
6	A'	1574	1454	3.35
7	A'	1355	1252	2.30
8	A'	1276	1179	1.11
9	A'	1058	977	3.08
10	A'	1003	926	0.10
11	A'	913	843	3.56
12	A'	759	701	2.77
13	A'	574	530	2.08
14	A'	161	148	1.68
15	A"	3257	3009	6.35
16	A"	3195	2951	58.09
17	A"	1581	1460	0.09
18	A"	1393	1287	2.32
19	A"	1331	1230	15.61
20	A"	1276	1178	5.08
21	A"	1101	1017	0.09
22	A"	1046	966	0.29
23	A"	880	813	0.04
24	A"	745	688	1.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.358	1.028	0.000
C2	-0.216	-0.290	1.140
C3	-0.216	-0.290	-1.140
C4	-0.216	-1.321	0.000
H5	-1.211	-0.075	1.524
H6	0.455	-0.490	1.971
H7	-1.211	-0.075	-1.524
H8	0.455	-0.490	-1.971
H9	-1.050	-2.022	0.000
H10	0.713	-1.889	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8342	1.8342	2.4172	2.4495	2.4899	2.4495	2.4899	3.3588	2.9379
C2	1.8342		2.2807	1.5374	1.0880	1.0867	2.8524	3.1896	2.2356	2.1726
C3	1.8342	2.2807		1.5374	2.8524	3.1896	1.0880	1.0867	2.2356	2.1726
C4	2.4172	1.5374	1.5374		2.2057	2.2419	2.2057	2.2419	1.0901	1.0887
H5	2.4495	1.0880	2.8524	2.2057		1.7742	3.0484	3.8945	2.4776	3.0519
H6	2.4899	1.0867	3.1896	2.2419	1.7742		3.8945	3.9428	2.9153	2.4309
H7	2.4495	2.8524	1.0880	2.2057	3.0484	3.8945		1.7742	2.4776	3.0519
H8	2.4899	3.1896	1.0867	2.2419	3.8945	3.9428	1.7742		2.9153	2.4309
H9	3.3588	2.2356	2.2356	1.0901	2.4776	2.9153	2.4776	2.9153		1.7684
H10	2.9379	2.1726	2.1726	1.0887	3.0519	2.4309	3.0519	2.4309	1.7684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.171	S1	C2	H5	111.331
S1	C2	H6	114.520	S1	C3	C4	91.171
S1	C3	H7	111.331	S1	C3	H8	114.520
C2	S1	C3	76.885	C2	C4	C3	95.764
C2	C4	H9	115.554	C2	C4	H10	110.486
C3	C4	H9	115.554	C3	C4	H10	110.486
C4	C2	H5	113.197	C4	C2	H6	116.327
C4	C3	H7	113.197	C4	C3	H8	116.327
H5	C2	H6	109.344	H7	C3	H8	109.344
H9	C4	H10	108.513

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: CID/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 (Thietane)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for C₃H₆S (Thietane)