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	hartrees
Energy at 0K	-514.825630
Energy at 298.15K	-514.832666
Nuclear repulsion energy	159.353101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3074	25.50
2	A'	3148	3012	20.56
3	A'	3132	2997	2.54
4	A'	3090	2956	32.29
5	A'	1571	1503	0.54
6	A'	1556	1489	4.19
7	A'	1302	1246	3.97
8	A'	1246	1192	0.51
9	A'	1004	960	3.11
10	A'	956	914	0.58
11	A'	878	840	2.76
12	A'	679	650	3.56
13	A'	512	490	4.72
14	A'	163	156	1.84
15	A"	3210	3071	4.11
16	A"	3133	2998	44.41
17	A"	1548	1481	0.11
18	A"	1371	1312	4.92
19	A"	1302	1246	14.49
20	A"	1231	1178	5.40
21	A"	1052	1007	0.16
22	A"	1008	964	0.49
23	A"	843	806	0.08
24	A"	615	588	1.67

Atom	x (Å)	y (Å)	z (Å)
S1	0.417	1.078	0.000
C2	-0.254	-0.331	1.167
C3	-0.254	-0.331	-1.167
C4	-0.254	-1.358	0.000
H5	-1.254	-0.055	1.516
H6	0.415	-0.515	2.011
H7	-1.254	-0.055	-1.516
H8	0.415	-0.515	-2.011
H9	-1.097	-2.062	0.000
H10	0.681	-1.933	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.9487	1.9487	2.5273	2.5248	2.5654	2.5248	2.5654	3.4862	3.0231
C2	1.9487		2.3339	1.5550	1.0940	1.0926	2.8762	3.2527	2.2516	2.1921
C3	1.9487	2.3339		1.5550	2.8762	3.2527	1.0940	1.0926	2.2516	2.1921
C4	2.5273	1.5550	1.5550		2.2351	2.2809	2.2351	2.2809	1.0980	1.0978
H5	2.5248	1.0940	2.8762	2.2351		1.8003	3.0316	3.9285	2.5199	3.0934
H6	2.5654	1.0926	3.2527	2.2809	1.8003		3.9285	4.0217	2.9534	2.4752
H7	2.5248	2.8762	1.0940	2.2351	3.0316	3.9285		1.8003	2.5199	3.0934
H8	2.5654	3.2527	1.0926	2.2809	3.9285	4.0217	1.8003		2.9534	2.4752
H9	3.4862	2.2516	2.2516	1.0980	2.5199	2.9534	2.5199	2.9534		1.7826
H10	3.0231	2.1921	2.1921	1.0978	3.0934	2.4752	3.0934	2.4752	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.626	S1	C2	H5	108.892
S1	C2	H6	111.934	S1	C3	C4	91.626
S1	C3	H7	108.892	S1	C3	H8	111.934
C2	S1	C3	73.575	C2	C4	C3	97.259
C2	C4	H9	115.057	C2	C4	H10	110.260
C3	C4	H9	115.057	C3	C4	H10	110.260
C4	C2	H5	113.939	C4	C2	H6	117.911
C4	C3	H7	113.939	C4	C3	H8	117.911
H5	C2	H6	110.836	H7	C3	H8	110.836
H9	C4	H10	108.552

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

All results from a given calculation for C₃H₆S (Thietane)