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	hartrees
Energy at 0K	-515.059224
Energy at 298.15K	-515.066442
HF Energy	-514.581247
Nuclear repulsion energy	164.855685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3015	31.87
2	A'	3222	2983	11.28
3	A'	3193	2956	15.61
4	A'	3171	2936	31.14
5	A'	1606	1487	1.60
6	A'	1573	1457	3.26
7	A'	1353	1253	2.49
8	A'	1275	1181	1.09
9	A'	1057	978	3.06
10	A'	1001	926	0.09
11	A'	911	844	3.53
12	A'	756	700	2.86
13	A'	572	530	2.13
14	A'	161	149	1.68
15	A"	3253	3011	6.75
16	A"	3191	2954	59.58
17	A"	1579	1462	0.13
18	A"	1392	1288	2.23
19	A"	1330	1231	15.69
20	A"	1274	1179	5.27
21	A"	1100	1018	0.09
22	A"	1044	966	0.30
23	A"	879	814	0.03
24	A"	742	687	1.73

Atom	x (Å)	y (Å)	z (Å)
S1	0.360	1.027	0.000
C2	-0.217	-0.290	1.141
C3	-0.217	-0.290	-1.141
C4	-0.217	-1.321	0.000
H5	-1.212	-0.073	1.523
H6	0.453	-0.491	1.973
H7	-1.212	-0.073	-1.523
H8	0.453	-0.491	-1.973
H9	-1.052	-2.022	0.000
H10	0.712	-1.889	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8352	1.8352	2.4180	2.4502	2.4909	2.4502	2.4909	3.3604	2.9373
C2	1.8352		2.2812	1.5377	1.0882	1.0869	2.8517	3.1909	2.2360	2.1729
C3	1.8352	2.2812		1.5377	2.8517	3.1909	1.0882	1.0869	2.2360	2.1729
C4	2.4180	1.5377	1.5377		2.2061	2.2426	2.2061	2.2426	1.0904	1.0889
H5	2.4502	1.0882	2.8517	2.2061		1.7748	3.0458	3.8944	2.4785	3.0528
H6	2.4909	1.0869	3.1909	2.2426	1.7748		3.8944	3.9454	2.9156	2.4318
H7	2.4502	2.8517	1.0882	2.2061	3.0458	3.8944		1.7748	2.4785	3.0528
H8	2.4909	3.1909	1.0869	2.2426	3.8944	3.9454	1.7748		2.9156	2.4318
H9	3.3604	2.2360	2.2360	1.0904	2.4785	2.9156	2.4785	2.9156		1.7689
H10	2.9373	2.1729	2.1729	1.0889	3.0528	2.4318	3.0528	2.4318	1.7689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.159	S1	C2	H5	111.307
S1	C2	H6	114.513	S1	C3	C4	91.159
S1	C3	H7	111.307	S1	C3	H8	114.513
C2	S1	C3	76.853	C2	C4	C3	95.763
C2	C4	H9	115.556	C2	C4	H10	110.475
C3	C4	H9	115.556	C3	C4	H10	110.475
C4	C2	H5	113.194	C4	C2	H6	116.349
C4	C3	H7	113.194	C4	C3	H8	116.349
H5	C2	H6	109.361	H7	C3	H8	109.361
H9	C4	H10	108.528

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for C₃H₆S (Thietane)