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	hartrees
Energy at 0K	-512.355463
Energy at 298.15K	-512.362394
HF Energy	-511.979935
Nuclear repulsion energy	158.282046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3081	17.77
2	A'	3119	3023	12.75
3	A'	3105	3009	2.30
4	A'	3067	2973	21.99
5	A'	1560	1512	0.24
6	A'	1541	1494	5.48
7	A'	1265	1226	3.05
8	A'	1224	1186	0.14
9	A'	962	932	1.48
10	A'	902	874	0.38
11	A'	842	816	3.36
12	A'	664	644	4.14
13	A'	512	496	5.55
14	A'	149	145	1.62
15	A"	3176	3078	2.51
16	A"	3105	3010	33.15
17	A"	1533	1486	0.50
18	A"	1353	1311	4.94
19	A"	1285	1245	14.67
20	A"	1200	1163	8.08
21	A"	1052	1020	0.16
22	A"	950	921	0.48
23	A"	798	773	0.03
24	A"	585	567	2.96

Atom	x (Å)	y (Å)	z (Å)
S1	0.401	1.095	0.000
C2	-0.245	-0.339	1.179
C3	-0.245	-0.339	-1.179
C4	-0.245	-1.374	0.000
H5	-1.246	-0.077	1.530
H6	0.442	-0.519	2.007
H7	-1.246	-0.077	-1.530
H8	0.442	-0.519	-2.007
H9	-1.095	-2.067	0.000
H10	0.694	-1.940	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.9657	1.9657	2.5522	2.5357	2.5758	2.5357	2.5758	3.4979	3.0494
C2	1.9657		2.3573	1.5684	1.0928	1.0914	2.8998	3.2638	2.2574	2.1989
C3	1.9657	2.3573		1.5684	2.8998	3.2638	1.0928	1.0914	2.2574	2.1989
C4	2.5522	1.5684	1.5684		2.2418	2.2871	2.2418	2.2871	1.0966	1.0969
H5	2.5357	1.0928	2.8998	2.2418		1.8093	3.0606	3.9444	2.5145	3.0948
H6	2.5758	1.0914	3.2638	2.2871	1.8093		3.9444	4.0137	2.9642	2.4719
H7	2.5357	2.8998	1.0928	2.2418	3.0606	3.9444		1.8093	2.5145	3.0948
H8	2.5758	3.2638	1.0914	2.2871	3.9444	4.0137	1.8093		2.9642	2.4719
H9	3.4979	2.2574	2.2574	1.0966	2.5145	2.9642	2.5145	2.9642		1.7939
H10	3.0494	2.1989	2.1989	1.0969	3.0948	2.4719	3.0948	2.4719	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.762	S1	C2	H5	108.614
S1	C2	H6	111.605	S1	C3	C4	91.762
S1	C3	H7	108.614	S1	C3	H8	111.605
C2	S1	C3	73.683	C2	C4	C3	97.440
C2	C4	H9	114.630	C2	C4	H10	109.918
C3	C4	H9	114.630	C3	C4	H10	109.918
C4	C2	H5	113.581	C4	C2	H6	117.482
C4	C3	H7	113.581	C4	C3	H8	117.482
H5	C2	H6	111.863	H7	C3	H8	111.863
H9	C4	H10	109.735

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₃H₆S (Thietane)