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	hartrees
Energy at 0K	-515.259267
Energy at 298.15K	-515.266434
Nuclear repulsion energy	164.195724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3016	41.06
2	A'	3130	2986	10.15
3	A'	3094	2952	22.58
4	A'	3077	2935	35.32
5	A'	1536	1466	1.47
6	A'	1506	1437	2.87
7	A'	1307	1247	3.99
8	A'	1227	1171	1.24
9	A'	1028	981	7.07
10	A'	969	925	0.30
11	A'	884	844	2.16
12	A'	722	689	2.24
13	A'	551	526	1.99
14	A'	173	165	1.19
15	A"	3156	3011	10.11
16	A"	3093	2951	60.26
17	A"	1509	1440	0.28
18	A"	1336	1274	1.81
19	A"	1287	1228	18.58
20	A"	1221	1165	4.75
21	A"	1065	1016	0.10
22	A"	1007	961	0.15
23	A"	853	814	0.00
24	A"	705	672	1.24

Atom	x (Å)	y (Å)	z (Å)
S1	0.400	1.018	0.000
C2	-0.241	-0.282	1.142
C3	-0.241	-0.282	-1.142
C4	-0.241	-1.322	0.000
H5	-1.248	-0.036	1.491
H6	0.407	-0.497	1.993
H7	-1.248	-0.036	-1.491
H8	0.407	-0.497	-1.993
H9	-1.079	-2.028	0.000
H10	0.700	-1.880	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8446	1.8446	2.4259	2.4598	2.5038	2.4598	2.5038	3.3860	2.9138
C2	1.8446		2.2832	1.5445	1.0938	1.0920	2.8294	3.2086	2.2485	2.1784
C3	1.8446	2.2832		1.5445	2.8294	3.2086	1.0938	1.0920	2.2485	2.1784
C4	2.4259	1.5445	1.5445		2.2113	2.2525	2.2113	2.2525	1.0958	1.0944
H5	2.4598	1.0938	2.8294	2.2113		1.7903	2.9822	3.8851	2.4938	3.0690
H6	2.5038	1.0920	3.2086	2.2525	1.7903		3.8851	3.9867	2.9199	2.4439
H7	2.4598	2.8294	1.0938	2.2113	2.9822	3.8851		1.7903	2.4938	3.0690
H8	2.5038	3.2086	1.0920	2.2525	3.8851	3.9867	1.7903		2.9199	2.4439
H9	3.3860	2.2485	2.2485	1.0958	2.4938	2.9199	2.4938	2.9199		1.7849
H10	2.9138	2.1784	2.1784	1.0944	3.0690	2.4439	3.0690	2.4439	1.7849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	90.974	S1	C2	H5	111.091
S1	C2	H6	114.553	S1	C3	C4	90.974
S1	C3	H7	111.091	S1	C3	H8	114.553
C2	S1	C3	76.472	C2	C4	C3	95.318
C2	C4	H9	115.733	C2	C4	H10	110.110
C3	C4	H9	115.733	C3	C4	H10	110.110
C4	C2	H5	112.775	C4	C2	H6	116.326
C4	C3	H7	112.775	C4	C3	H8	116.326
H5	C2	H6	109.984	H7	C3	H8	109.984
H9	C4	H10	109.167

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

All results from a given calculation for C₃H₆S (Thietane)