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	hartrees
Energy at 0K	-515.456089
Energy at 298.15K	-515.463259
HF Energy	-514.658419
Nuclear repulsion energy	165.487463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3024	14.93
2	A'	3153	3000	9.62
3	A'	3114	2962	16.89
4	A'	3097	2947	32.05
5	A'	1533	1458	0.54
6	A'	1507	1434	5.11
7	A'	1267	1206	1.47
8	A'	1233	1173	0.57
9	A'	1008	959	2.01
10	A'	973	926	0.44
11	A'	886	843	2.83
12	A'	720	685	2.03
13	A'	535	509	2.31
14	A'	186	177	1.28
15	A"	3175	3020	9.13
16	A"	3115	2963	40.09
17	A"	1504	1431	0.28
18	A"	1324	1260	1.83
19	A"	1277	1215	8.15
20	A"	1202	1144	5.82
21	A"	1056	1004	0.17
22	A"	1009	960	0.15
23	A"	836	795	0.02
24	A"	709	674	1.33

Atom	x (Å)	y (Å)	z (Å)
S1	0.353	1.030	0.000
C2	-0.213	-0.294	1.138
C3	-0.213	-0.294	-1.138
C4	-0.213	-1.318	0.000
H5	-1.203	-0.085	1.531
H6	0.474	-0.490	1.953
H7	-1.203	-0.085	-1.531
H8	0.474	-0.490	-1.953
H9	-1.059	-2.001	0.000
H10	0.706	-1.896	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8358	1.8358	2.4158	2.4515	2.4779	2.4515	2.4779	3.3438	2.9469
C2	1.8358		2.2768	1.5314	1.0849	1.0834	2.8548	3.1727	2.2190	2.1696
C3	1.8358	2.2768		1.5314	2.8548	3.1727	1.0849	1.0834	2.2190	2.1696
C4	2.4158	1.5314	1.5314		2.2011	2.2295	2.2011	2.2295	1.0865	1.0858
H5	2.4515	1.0849	2.8548	2.2011		1.7756	3.0625	3.8876	2.4569	3.0443
H6	2.4779	1.0834	3.1727	2.2295	1.7756		3.8876	3.9056	2.9057	2.4170
H7	2.4515	2.8548	1.0849	2.2011	3.0625	3.8876		1.7756	2.4569	3.0443
H8	2.4779	3.1727	1.0834	2.2295	3.8876	3.9056	1.7756		2.9057	2.4170
H9	3.3438	2.2190	2.2190	1.0865	2.4569	2.9057	2.4569	2.9057		1.7680
H10	2.9469	2.1696	2.1696	1.0858	3.0443	2.4170	3.0443	2.4170	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.228	S1	C2	H5	111.542
S1	C2	H6	113.648	S1	C3	C4	91.228
S1	C3	H7	111.542	S1	C3	H8	113.648
C2	S1	C3	76.646	C2	C4	C3	96.039
C2	C4	H9	114.847	C2	C4	H10	110.837
C3	C4	H9	114.847	C3	C4	H10	110.837
C4	C2	H5	113.456	C4	C2	H6	115.941
C4	C3	H7	113.456	C4	C3	H8	115.941
H5	C2	H6	109.943	H7	C3	H8	109.943
H9	C4	H10	108.954

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆S (Thietane)