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	hartrees
Energy at 0K	-515.388134
Energy at 298.15K	-515.395266
HF Energy	-514.657101
Nuclear repulsion energy	164.412737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3021	29.66
2	A'	3130	2991	11.07
3	A'	3095	2958	20.47
4	A'	3080	2943	32.01
5	A'	1529	1461	0.85
6	A'	1502	1435	3.23
7	A'	1276	1219	1.44
8	A'	1225	1170	0.74
9	A'	1003	959	1.87
10	A'	962	919	0.21
11	A'	875	836	2.48
12	A'	715	683	2.18
13	A'	543	519	2.18
14	A'	168	161	1.29
15	A"	3157	3016	9.44
16	A"	3094	2957	53.72
17	A"	1503	1436	0.00
18	A"	1329	1270	2.17
19	A"	1273	1217	8.61
20	A"	1209	1155	6.43
21	A"	1046	1000	0.06
22	A"	1002	957	0.17
23	A"	833	796	0.00
24	A"	699	668	1.35

Atom	x (Å)	y (Å)	z (Å)
S1	0.337	1.042	0.000
C2	-0.203	-0.299	1.148
C3	-0.203	-0.299	-1.148
C4	-0.203	-1.327	0.000
H5	-1.193	-0.103	1.557
H6	0.493	-0.492	1.959
H7	-1.193	-0.103	-1.557
H8	0.493	-0.492	-1.959
H9	-1.049	-2.014	0.000
H10	0.716	-1.910	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8459	1.8459	2.4297	2.4644	2.4928	2.4644	2.4928	3.3553	2.9753
C2	1.8459		2.2965	1.5415	1.0879	1.0865	2.8867	3.1906	2.2305	2.1814
C3	1.8459	2.2965		1.5415	2.8867	3.1906	1.0879	1.0865	2.2305	2.1814
C4	2.4297	1.5415	1.5415		2.2137	2.2411	2.2137	2.2411	1.0893	1.0884
H5	2.4644	1.0879	2.8867	2.2137		1.7763	3.1132	3.9186	2.4690	3.0545
H6	2.4928	1.0865	3.1906	2.2411	1.7763		3.9186	3.9187	2.9215	2.4288
H7	2.4644	2.8867	1.0879	2.2137	3.1132	3.9186		1.7763	2.4690	3.0545
H8	2.4928	3.1906	1.0865	2.2411	3.9186	3.9187	1.7763		2.9215	2.4288
H9	3.3553	2.2305	2.2305	1.0893	2.4690	2.9215	2.4690	2.9215		1.7682
H10	2.9753	2.1814	2.1814	1.0884	3.0545	2.4288	3.0545	2.4288	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	91.208	S1	C2	H5	111.656
S1	C2	H6	113.919	S1	C3	C4	91.208
S1	C3	H7	111.656	S1	C3	H8	113.919
C2	S1	C3	76.932	C2	C4	C3	96.303
C2	C4	H9	114.876	C2	C4	H10	110.908
C3	C4	H9	114.876	C3	C4	H10	110.908
C4	C2	H5	113.561	C4	C2	H6	115.957
C4	C3	H7	113.561	C4	C3	H8	115.957
H5	C2	H6	109.559	H7	C3	H8	109.559
H9	C4	H10	108.575

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₆S (Thietane)