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	hartrees
Energy at 0K	-515.359006
Energy at 298.15K	-515.366145
HF Energy	-514.658190
Nuclear repulsion energy	164.843980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3029	16.69
2	A'	3152	3004	7.89
3	A'	3100	2954	18.81
4	A'	3089	2944	31.34
5	A'	1519	1447	0.65
6	A'	1494	1424	4.72
7	A'	1254	1195	1.49
8	A'	1214	1157	0.64
9	A'	1002	955	2.01
10	A'	963	918	0.27
11	A'	879	838	2.80
12	A'	710	676	2.21
13	A'	529	504	2.48
14	A'	187	178	1.28
15	A"	3175	3026	7.39
16	A"	3102	2956	42.01
17	A"	1492	1422	0.14
18	A"	1311	1249	2.26
19	A"	1261	1201	8.41
20	A"	1190	1134	4.44
21	A"	1041	992	0.12
22	A"	997	950	0.19
23	A"	829	790	0.02
24	A"	697	664	1.53

Atom	x (Å)	y (Å)	z (Å)
S1	0.363	1.030	0.000
C2	-0.219	-0.293	1.143
C3	-0.219	-0.293	-1.143
C4	-0.219	-1.323	0.000
H5	-1.211	-0.073	1.534
H6	0.466	-0.488	1.964
H7	-1.211	-0.073	-1.534
H8	0.466	-0.488	-1.964
H9	-1.066	-2.007	0.000
H10	0.701	-1.903	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8425	1.8425	2.4236	2.4582	2.4843	2.4582	2.4843	3.3567	2.9527
C2	1.8425		2.2861	1.5386	1.0881	1.0867	2.8628	3.1876	2.2280	2.1788
C3	1.8425	2.2861		1.5386	2.8628	3.1876	1.0881	1.0867	2.2280	2.1788
C4	2.4236	1.5386	1.5386		2.2130	2.2412	2.2130	2.2412	1.0891	1.0881
H5	2.4582	1.0881	2.8628	2.2130		1.7797	3.0672	3.9007	2.4730	3.0590
H6	2.4843	1.0867	3.1876	2.2412	1.7797		3.9007	3.9280	2.9176	2.4323
H7	2.4582	2.8628	1.0881	2.2130	3.0672	3.9007		1.7797	2.4730	3.0590
H8	2.4843	3.1876	1.0867	2.2412	3.9007	3.9280	1.7797		2.9176	2.4323
H9	3.3567	2.2280	2.2280	1.0891	2.4730	2.9176	2.4730	2.9176		1.7703
H10	2.9527	2.1788	2.1788	1.0881	3.0590	2.4323	3.0590	2.4323	1.7703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.129	S1	C2	H5	111.421
S1	C2	H6	113.492	S1	C3	C4	91.129
S1	C3	H7	111.421	S1	C3	H8	113.492
C2	S1	C3	76.689	C2	C4	C3	95.958
C2	C4	H9	114.890	C2	C4	H10	110.925
C3	C4	H9	114.890	C3	C4	H10	110.925
C4	C2	H5	113.704	C4	C2	H6	116.168
C4	C3	H7	113.704	C4	C3	H8	116.168
H5	C2	H6	109.836	H7	C3	H8	109.836
H9	C4	H10	108.800

All results from a given calculation for C₃H₆S (Thietane)

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

States and conformations

All results from a given calculation for C₃H₆S (Thietane)