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	hartrees
Energy at 0K	-515.135021
Energy at 298.15K	-515.142183
HF Energy	-514.580640
Nuclear repulsion energy	164.196831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3014	29.64
2	A'	3153	2984	10.36
3	A'	3119	2952	13.21
4	A'	3101	2935	30.09
5	A'	1569	1485	1.35
6	A'	1539	1457	3.43
7	A'	1318	1248	2.11
8	A'	1244	1177	1.15
9	A'	1034	978	3.28
10	A'	982	930	0.14
11	A'	894	846	2.72
12	A'	737	697	2.29
13	A'	557	528	1.95
14	A'	167	158	1.59
15	A"	3181	3010	6.84
16	A"	3118	2951	52.41
17	A"	1544	1461	0.06
18	A"	1357	1284	2.04
19	A"	1297	1227	14.24
20	A"	1241	1174	4.68
21	A"	1073	1016	0.12
22	A"	1024	969	0.26
23	A"	862	816	0.07
24	A"	719	681	1.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.324	1.049	0.000
C2	-0.195	-0.301	1.148
C3	-0.195	-0.301	-1.148
C4	-0.195	-1.332	0.000
H5	-1.189	-0.122	1.569
H6	0.512	-0.493	1.959
H7	-1.189	-0.122	-1.569
H8	0.512	-0.493	-1.959
H9	-1.045	-2.025	0.000
H10	0.729	-1.920	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8459	1.8459	2.4368	2.4741	2.5004	2.4741	2.5004	3.3644	2.9959
C2	1.8459		2.2952	1.5431	1.0944	1.0934	2.8979	3.1922	2.2386	2.1893
C3	1.8459	2.2952		1.5431	2.8979	3.1922	1.0944	1.0934	2.2386	2.1893
C4	2.4368	1.5431	1.5431		2.2167	2.2456	2.2167	2.2456	1.0964	1.0953
H5	2.4741	1.0944	2.8979	2.2167		1.7845	3.1370	3.9342	2.4701	3.0617
H6	2.5004	1.0934	3.1922	2.2456	1.7845		3.9342	3.9188	2.9339	2.4334
H7	2.4741	2.8979	1.0944	2.2167	3.1370	3.9342		1.7845	2.4701	3.0617
H8	2.5004	3.1922	1.0934	2.2456	3.9342	3.9188	1.7845		2.9339	2.4334
H9	3.3644	2.2386	2.2386	1.0964	2.4701	2.9339	2.4701	2.9339		1.7775
H10	2.9959	2.1893	2.1893	1.0953	3.0617	2.4334	3.0617	2.4334	1.7775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.505	S1	C2	H5	112.037
S1	C2	H6	114.114	S1	C3	C4	91.505
S1	C3	H7	112.037	S1	C3	H8	114.114
C2	S1	C3	76.884	C2	C4	C3	96.101
C2	C4	H9	114.970	C2	C4	H10	111.015
C3	C4	H9	114.970	C3	C4	H10	111.015
C4	C2	H5	113.281	C4	C2	H6	115.748
C4	C3	H7	113.281	C4	C3	H8	115.748
H5	C2	H6	109.298	H7	C3	H8	109.298
H9	C4	H10	108.395

All results from a given calculation for C₃H₆S (Thietane)

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

States and conformations

All results from a given calculation for C₃H₆S (Thietane)