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	hartrees
Energy at 0K	-29.780294
Energy at 298.15K	-29.787379
Nuclear repulsion energy	64.847243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3370	3037	102.29
2	A'	3308	2982	25.90
3	A'	3293	2968	32.38
4	A'	3252	2931	53.32
5	A'	1655	1492	0.10
6	A'	1624	1464	3.60
7	A'	1405	1266	4.06
8	A'	1320	1190	0.43
9	A'	1073	967	8.39
10	A'	1011	911	0.41
11	A'	835	752	13.05
12	A'	828	747	7.81
13	A'	586	528	7.08
14	A'	58	52	1.02
15	A"	3364	3032	0.00
16	A"	3287	2963	137.03
17	A"	1627	1466	0.62
18	A"	1459	1315	24.71
19	A"	1373	1238	0.00
20	A"	1365	1230	27.98
21	A"	1129	1017	0.00
22	A"	1085	978	1.18
23	A"	909	819	0.00
24	A"	700	631	6.62

Atom	x (Å)	y (Å)	z (Å)
S1	-0.000	1.431	0.000
C2	-0.000	-0.066	1.180
C3	-0.000	-0.066	-1.180
C4	0.000	-1.086	0.000
H5	-0.887	-0.066	1.802
H6	0.887	-0.066	1.802
H7	-0.887	-0.066	-1.802
H8	0.887	-0.066	-1.802
H9	-0.879	-1.726	0.000
H10	0.879	-1.726	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.9058	1.9058	2.5174	2.5047	2.5047	2.5047	2.5047	3.2770	3.2770
C2	1.9058		2.3601	1.5603	1.0832	1.0832	3.1111	3.1112	2.2186	2.2186
C3	1.9058	2.3601		1.5603	3.1111	3.1112	1.0832	1.0832	2.2186	2.2186
C4	2.5174	1.5603	1.5603		2.2530	2.2530	2.2530	2.2530	1.0871	1.0871
H5	2.5047	1.0832	3.1111	2.2530		1.7737	3.6040	4.0169	2.4503	3.0204
H6	2.5047	1.0832	3.1112	2.2530	1.7737		4.0169	3.6041	3.0203	2.4504
H7	2.5047	3.1111	1.0832	2.2530	3.6040	4.0169		1.7737	2.4503	3.0204
H8	2.5047	3.1112	1.0832	2.2530	4.0169	3.6041	1.7737		3.0203	2.4504
H9	3.2770	2.2186	2.2186	1.0871	2.4503	3.0203	2.4503	3.0203		1.7581
H10	3.2770	2.2186	2.2186	1.0871	3.0204	2.4504	3.0204	2.4504	1.7581

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	92.606	S1	C2	H5	110.826
S1	C2	H6	110.825	S1	C3	C4	92.606
S1	C3	H7	110.826	S1	C3	H8	110.825
C2	S1	C3	76.512	C2	C4	C3	98.275
C2	C4	H9	112.637	C2	C4	H10	112.639
C3	C4	H9	112.637	C3	C4	H10	112.639
C4	C2	H5	115.738	C4	C2	H6	115.737
C4	C3	H7	115.738	C4	C3	H8	115.737
H5	C2	H6	109.913	H7	C3	H8	109.913
H9	C4	H10	107.924

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	S	0.100
2	C	-0.447
3	C	-0.447
4	C	-0.076
5	H	0.158
6	H	0.158
7	H	0.158
8	H	0.158
9	H	0.120
10	H	0.120

<r²>	72.391
(<r²>)^1/2	8.508

All results from a given calculation for C3H6S (Thietane)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₃H₆S (Thietane)