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	hartrees
Energy at 0K	-515.342147
Energy at 298.15K	-515.349288
HF Energy	-514.654664
Nuclear repulsion energy	165.169051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3033	21.42
2	A'	3162	3008	6.22
3	A'	3108	2957	22.67
4	A'	3099	2949	27.58
5	A'	1517	1443	0.86
6	A'	1491	1418	4.29
7	A'	1259	1198	1.26
8	A'	1215	1156	1.08
9	A'	1005	956	2.46
10	A'	965	919	0.29
11	A'	882	840	2.70
12	A'	713	678	1.93
13	A'	532	506	2.22
14	A'	190	181	1.28
15	A"	3182	3028	8.42
16	A"	3108	2958	43.73
17	A"	1490	1418	0.02
18	A"	1310	1246	2.85
19	A"	1263	1202	9.15
20	A"	1195	1137	5.46
21	A"	1043	993	0.18
22	A"	998	950	0.19
23	A"	832	791	0.02
24	A"	703	669	1.26

Atom	x (Å)	y (Å)	z (Å)
S1	0.365	1.026	0.000
C2	-0.220	-0.290	1.142
C3	-0.220	-0.290	-1.142
C4	-0.220	-1.320	0.000
H5	-1.212	-0.071	1.531
H6	0.461	-0.488	1.963
H7	-1.212	-0.071	-1.531
H8	0.461	-0.488	-1.963
H9	-1.067	-2.004	0.000
H10	0.699	-1.900	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8380	1.8380	2.4181	2.4561	2.4816	2.4561	2.4816	3.3512	2.9458
C2	1.8380		2.2832	1.5376	1.0872	1.0858	2.8588	3.1851	2.2264	2.1776
C3	1.8380	2.2832		1.5376	2.8588	3.1851	1.0872	1.0858	2.2264	2.1776
C4	2.4181	1.5376	1.5376		2.2104	2.2386	2.2104	2.2386	1.0883	1.0872
H5	2.4561	1.0872	2.8588	2.2104		1.7773	3.0617	3.8964	2.4696	3.0562
H6	2.4816	1.0858	3.1851	2.2386	1.7773		3.8964	3.9269	2.9132	2.4303
H7	2.4561	2.8588	1.0872	2.2104	3.0617	3.8964		1.7773	2.4696	3.0562
H8	2.4816	3.1851	1.0858	2.2386	3.8964	3.9269	1.7773		2.9132	2.4303
H9	3.3512	2.2264	2.2264	1.0883	2.4696	2.9132	2.4696	2.9132		1.7690
H10	2.9458	2.1776	2.1776	1.0872	3.0562	2.4303	3.0562	2.4303	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.064	S1	C2	H5	111.617
S1	C2	H6	113.648	S1	C3	C4	91.064
S1	C3	H7	111.617	S1	C3	H8	113.648
C2	S1	C3	76.795	C2	C4	C3	95.887
C2	C4	H9	114.887	C2	C4	H10	110.956
C3	C4	H9	114.887	C3	C4	H10	110.956
C4	C2	H5	113.620	C4	C2	H6	116.084
C4	C3	H7	113.620	C4	C3	H8	116.084
H5	C2	H6	109.750	H7	C3	H8	109.750
H9	C4	H10	108.810

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2/Def2TZVPP

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: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₃H₆S (Thietane)