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	hartrees
Energy at 0K	-515.156047
Energy at 298.15K	-515.163178
HF Energy	-514.580112
Nuclear repulsion energy	163.838735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3161	3018
2	A'	3131	2989
3	A'	3093	2953
4	A'	3076	2937
5	A'	1556	1486
6	A'	1528	1459
7	A'	1299	1241
8	A'	1231	1176
9	A'	1024	977
10	A'	969	926
11	A'	887	846
12	A'	718	685
13	A'	543	518
14	A'	178	170
15	A"	3158	3015
16	A"	3092	2952
17	A"	1531	1462
18	A"	1341	1281
19	A"	1281	1223
20	A"	1223	1167
21	A"	1059	1011
22	A"	1009	964
23	A"	853	815
24	A"	695	664

Atom	x (Å)	y (Å)	z (Å)
S1	0.408	1.019	0.000
C2	-0.246	-0.283	1.142
C3	-0.246	-0.283	-1.142
C4	-0.246	-1.322	0.000
H5	-1.254	-0.032	1.491
H6	0.397	-0.498	2.002
H7	-1.254	-0.032	-1.491
H8	0.397	-0.498	-2.002
H9	-1.082	-2.034	0.000
H10	0.696	-1.885	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8514	1.8514	2.4306	2.4679	2.5122	2.4679	2.5122	3.3975	2.9185
C2	1.8514		2.2835	1.5432	1.0968	1.0952	2.8305	3.2161	2.2512	2.1804
C3	1.8514	2.2835		1.5432	2.8305	3.2161	1.0968	1.0952	2.2512	2.1804
C4	2.4306	1.5432	1.5432		2.2145	2.2583	2.2145	2.2583	1.0987	1.0969
H5	2.4679	1.0968	2.8305	2.2145		1.7906	2.9817	3.8918	2.5022	3.0756
H6	2.5122	1.0952	3.2161	2.2583	1.7906		3.8918	4.0043	2.9250	2.4537
H7	2.4679	2.8305	1.0968	2.2145	2.9817	3.8918		1.7906	2.5022	3.0756
H8	2.5122	3.2161	1.0952	2.2583	3.8918	4.0043	1.7906		2.9250	2.4537
H9	3.3975	2.2512	2.2512	1.0987	2.5022	2.9250	2.5022	2.9250		1.7841
H10	2.9185	2.1804	2.1804	1.0969	3.0756	2.4537	3.0756	2.4537	1.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	90.986	S1	C2	H5	111.064
S1	C2	H6	114.541	S1	C3	C4	90.986
S1	C3	H7	111.064	S1	C3	H8	114.541
C2	S1	C3	76.149	C2	C4	C3	95.435
C2	C4	H9	115.862	C2	C4	H10	110.201
C3	C4	H9	115.862	C3	C4	H10	110.201
C4	C2	H5	112.942	C4	C2	H6	116.707
C4	C3	H7	112.942	C4	C3	H8	116.707
H5	C2	H6	109.551	H7	C3	H8	109.551
H9	C4	H10	108.701

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

All results from a given calculation for C₃H₆S (Thietane)