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	hartrees
Energy at 0K	-512.480048
Energy at 298.15K	-512.487144
HF Energy	-512.085573
Nuclear repulsion energy	162.349908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3052	21.81
2	A'	3181	3026	4.89
3	A'	3135	2982	11.31
4	A'	3125	2973	17.22
5	A'	1590	1512	1.49
6	A'	1570	1493	4.25
7	A'	1310	1246	1.48
8	A'	1247	1186	1.13
9	A'	1027	977	2.54
10	A'	918	873	0.08
11	A'	886	843	3.86
12	A'	701	667	3.85
13	A'	539	512	3.71
14	A'	169	161	1.80
15	A"	3201	3046	3.89
16	A"	3134	2981	38.03
17	A"	1571	1495	0.08
18	A"	1362	1296	3.76
19	A"	1308	1244	14.32
20	A"	1242	1181	1.68
21	A"	1094	1040	0.24
22	A"	953	906	0.66
23	A"	844	803	0.05
24	A"	664	632	2.58

Atom	x (Å)	y (Å)	z (Å)
S1	0.391	1.036	0.000
C2	-0.237	-0.293	1.157
C3	-0.237	-0.293	-1.157
C4	-0.237	-1.353	0.000
H5	-1.238	-0.030	1.504
H6	0.431	-0.468	2.000
H7	-1.238	-0.030	-1.504
H8	0.431	-0.468	-2.000
H9	-1.076	-2.052	0.000
H10	0.709	-1.901	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8703	1.8703	2.4706	2.4597	2.5031	2.4597	2.5031	3.4192	2.9542
C2	1.8703		2.3136	1.5694	1.0917	1.0899	2.8548	3.2317	2.2670	2.1952
C3	1.8703	2.3136		1.5694	2.8548	3.2317	1.0917	1.0899	2.2670	2.1952
C4	2.4706	1.5694	1.5694		2.2395	2.2870	2.2395	2.2870	1.0923	1.0928
H5	2.4597	1.0917	2.8548	2.2395		1.7954	3.0074	3.9057	2.5256	3.0907
H6	2.5031	1.0899	3.2317	2.2870	1.7954		3.9057	4.0005	2.9634	2.4761
H7	2.4597	2.8548	1.0917	2.2395	3.0074	3.9057		1.7954	2.5256	3.0907
H8	2.5031	3.2317	1.0899	2.2870	3.9057	4.0005	1.7954		2.9634	2.4761
H9	3.4192	2.2670	2.2670	1.0923	2.5256	2.9634	2.5256	2.9634		1.7915
H10	2.9542	2.1952	2.1952	1.0928	3.0907	2.4761	3.0907	2.4761	1.7915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.391	S1	C2	H5	109.459
S1	C2	H6	112.794	S1	C3	C4	91.391
S1	C3	H7	109.459	S1	C3	H8	112.794
C2	S1	C3	76.416	C2	C4	C3	94.968
C2	C4	H9	115.629	C2	C4	H10	109.788
C3	C4	H9	115.629	C3	C4	H10	109.788
C4	C2	H5	113.390	C4	C2	H6	117.497
C4	C3	H7	113.390	C4	C3	H8	117.497
H5	C2	H6	110.768	H7	C3	H8	110.768
H9	C4	H10	110.142

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₃H₆S (Thietane)