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	hartrees
Energy at 0K	-514.590452
Energy at 298.15K	-514.597694
Nuclear repulsion energy	164.776143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	2982	44.55
2	A'	3264	2946	14.53
3	A'	3243	2927	18.74
4	A'	3217	2903	38.46
5	A'	1649	1489	1.58
6	A'	1612	1455	2.00
7	A'	1395	1259	3.86
8	A'	1316	1188	0.65
9	A'	1082	977	2.03
10	A'	1006	908	0.03
11	A'	919	829	5.68
12	A'	775	699	4.41
13	A'	592	535	3.43
14	A'	133	120	1.90
15	A"	3299	2978	6.19
16	A"	3240	2925	83.89
17	A"	1622	1464	0.31
18	A"	1436	1297	2.45
19	A"	1372	1239	12.99
20	A"	1323	1195	6.40
21	A"	1135	1024	0.04
22	A"	1051	949	0.52
23	A"	894	807	0.01
24	A"	758	685	4.34

Atom	x (Å)	y (Å)	z (Å)
S1	0.296	1.046	0.000
C2	-0.179	-0.306	1.148
C3	-0.179	-0.306	-1.148
C4	-0.179	-1.334	0.000
H5	-1.153	-0.111	1.577
H6	0.540	-0.449	1.942
H7	-1.153	-0.111	-1.577
H8	0.540	-0.449	-1.942
H9	-1.018	-2.022	0.000
H10	0.737	-1.913	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8358	1.8358	2.4269	2.4342	2.4630	2.4342	2.4630	3.3371	2.9914
C2	1.8358		2.2958	1.5412	1.0819	1.0808	2.9000	3.1758	2.2284	2.1770
C3	1.8358	2.2958		1.5412	2.9000	3.1758	1.0819	1.0808	2.2284	2.1770
C4	2.4269	1.5412	1.5412		2.2204	2.2520	2.2204	2.2520	1.0845	1.0834
H5	2.4342	1.0819	2.9000	2.2204		1.7646	3.1534	3.9195	2.4809	3.0502
H6	2.4630	1.0808	3.1758	2.2520	1.7646		3.9195	3.8843	2.9445	2.4399
H7	2.4342	2.9000	1.0819	2.2204	3.1534	3.9195		1.7646	2.4809	3.0502
H8	2.4630	3.1758	1.0808	2.2520	3.9195	3.8843	1.7646		2.9445	2.4399
H9	3.3371	2.2284	2.2284	1.0845	2.4809	2.9445	2.4809	2.9445		1.7578
H10	2.9914	2.1770	2.1770	1.0834	3.0502	2.4399	3.0502	2.4399	1.7578

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.464	S1	C2	H5	110.399
S1	C2	H6	112.650	S1	C3	C4	91.464
S1	C3	H7	110.399	S1	C3	H8	112.650
C2	S1	C3	77.405	C2	C4	C3	96.286
C2	C4	H9	115.032	C2	C4	H10	110.885
C3	C4	H9	115.032	C3	C4	H10	110.885
C4	C2	H5	114.531	C4	C2	H6	117.304
C4	C3	H7	114.531	C4	C3	H8	117.304
H5	C2	H6	109.352	H7	C3	H8	109.352
H9	C4	H10	108.353

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	S	0.085	-0.368
2	C	-0.370	0.308
3	C	-0.370	0.308
4	C	-0.220	-0.411
5	H	0.150	-0.019
6	H	0.150	-0.005
7	H	0.150	-0.019
8	H	0.150	-0.005
9	H	0.132	0.109
10	H	0.142	0.102

	x	y	z	Total
	-0.691	-2.097	0.000	2.208
CHELPG
AIM
ESP

	x	y	z
x	5.597	0.570	0.000
y	0.570	7.122	0.000
z	0.000	0.000	6.971

<r²>	93.055
(<r²>)^1/2	9.647

All results from a given calculation for C3H6S (Thietane)

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

States and conformations

All results from a given calculation for C₃H₆S (Thietane)