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	hartrees
Energy at 0K	-515.298140
Energy at 298.15K	-515.305315
HF Energy	-514.602903
Nuclear repulsion energy	165.389634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3029	14.23
2	A'	3200	3008	3.30
3	A'	3143	2954	13.82
4	A'	3133	2945	23.24
5	A'	1537	1444	1.35
6	A'	1512	1421	3.55
7	A'	1274	1198	2.25
8	A'	1234	1160	0.93
9	A'	1016	955	2.20
10	A'	982	923	0.40
11	A'	893	839	3.76
12	A'	729	685	2.37
13	A'	538	506	2.52
14	A'	185	174	1.61
15	A"	3217	3024	4.30
16	A"	3144	2955	34.91
17	A"	1511	1420	0.03
18	A"	1335	1254	1.39
19	A"	1281	1204	9.89
20	A"	1210	1137	6.78
21	A"	1061	997	0.13
22	A"	1019	958	0.15
23	A"	841	791	0.12
24	A"	722	678	1.70

Atom	x (Å)	y (Å)	z (Å)
S1	0.353	1.029	0.000
C2	-0.213	-0.292	1.140
C3	-0.213	-0.292	-1.140
C4	-0.213	-1.320	0.000
H5	-1.204	-0.082	1.537
H6	0.474	-0.488	1.958
H7	-1.204	-0.082	-1.537
H8	0.474	-0.488	-1.958
H9	-1.060	-2.004	0.000
H10	0.707	-1.900	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8344	1.8344	2.4164	2.4541	2.4802	2.4541	2.4802	3.3468	2.9504
C2	1.8344		2.2793	1.5348	1.0879	1.0868	2.8616	3.1795	2.2247	2.1752
C3	1.8344	2.2793		1.5348	2.8616	3.1795	1.0879	1.0868	2.2247	2.1752
C4	2.4164	1.5348	1.5348		2.2080	2.2361	2.2080	2.2361	1.0890	1.0878
H5	2.4541	1.0879	2.8616	2.2080		1.7772	3.0733	3.8983	2.4652	3.0526
H6	2.4802	1.0868	3.1795	2.2361	1.7772		3.8983	3.9170	2.9137	2.4258
H7	2.4541	2.8616	1.0879	2.2080	3.0733	3.8983		1.7772	2.4652	3.0526
H8	2.4802	3.1795	1.0868	2.2361	3.8983	3.9170	1.7772		2.9137	2.4258
H9	3.3468	2.2247	2.2247	1.0890	2.4652	2.9137	2.4652	2.9137		1.7702
H10	2.9504	2.1752	2.1752	1.0878	3.0526	2.4258	3.0526	2.4258	1.7702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.206	S1	C2	H5	111.673
S1	C2	H6	113.740	S1	C3	C4	91.206
S1	C3	H7	111.673	S1	C3	H8	113.740
C2	S1	C3	76.817	C2	C4	C3	95.896
C2	C4	H9	114.901	C2	C4	H10	110.929
C3	C4	H9	114.901	C3	C4	H10	110.929
C4	C2	H5	113.582	C4	C2	H6	116.024
C4	C3	H7	113.582	C4	C3	H8	116.024
H5	C2	H6	109.615	H7	C3	H8	109.615
H9	C4	H10	108.823

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₆S (Thietane)