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	hartrees
Energy at 0K	-515.495863
Energy at 298.15K	-515.503040
Nuclear repulsion energy	165.817166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3020	16.74
2	A'	3160	2996	10.52
3	A'	3119	2957	18.41
4	A'	3109	2948	32.41
5	A'	1526	1447	0.67
6	A'	1501	1423	4.60
7	A'	1261	1196	0.93
8	A'	1220	1156	1.16
9	A'	1010	958	1.92
10	A'	972	922	0.23
11	A'	891	844	2.72
12	A'	715	678	2.01
13	A'	530	502	2.44
14	A'	198	187	1.43
15	A"	3182	3017	11.63
16	A"	3122	2960	38.53
17	A"	1501	1423	0.09
18	A"	1316	1248	2.28
19	A"	1268	1202	7.65
20	A"	1200	1138	4.14
21	A"	1049	995	0.22
22	A"	1002	950	0.33
23	A"	832	789	0.04
24	A"	710	673	1.36

Atom	x (Å)	y (Å)	z (Å)
S1	0.449	0.984	0.000
C2	-0.272	-0.269	1.126
C3	-0.272	-0.269	-1.126
C4	-0.272	-1.304	0.000
H5	-1.267	0.044	1.423
H6	0.335	-0.460	2.000
H7	-1.267	0.044	-1.423
H8	0.335	-0.460	-2.000
H9	-1.090	-2.017	0.000
H10	0.672	-1.837	0.000

	S1	C2	C3	C4	H5	H6	H7	H8	H9	H10
S1		1.8319	1.8319	2.3983	2.4184	2.4696	2.4184	2.4696	3.3724	2.8299
C2	1.8319		2.2517	1.5292	1.0843	1.0815	2.7539	3.1904	2.2346	2.1490
C3	1.8319	2.2517		1.5292	2.7539	3.1904	1.0843	1.0815	2.2346	2.1490
C4	2.3983	1.5292	1.5292		2.1981	2.2543	2.1981	2.2543	1.0855	1.0841
H5	2.4184	1.0843	2.7539	2.1981		1.7755	2.8459	3.8129	2.5112	3.0534
H6	2.4696	1.0815	3.1904	2.2543	1.7755		3.8129	4.0009	2.9081	2.4520
H7	2.4184	2.7539	1.0843	2.1981	2.8459	3.8129		1.7755	2.5112	3.0534
H8	2.4696	3.1904	1.0815	2.2543	3.8129	4.0009	1.7755		2.9081	2.4520
H9	3.3724	2.2346	2.2346	1.0855	2.5112	2.9081	2.5112	2.9081		1.7711
H10	2.8299	2.1490	2.1490	1.0841	3.0534	2.4520	3.0534	2.4520	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	90.588	S1	C2	H5	109.368
S1	C2	H6	113.402	S1	C3	C4	90.588
S1	C3	H7	109.368	S1	C3	H8	113.402
C2	S1	C3	75.845	C2	C4	C3	94.820
C2	C4	H9	116.407	C2	C4	H10	109.455
C3	C4	H9	116.407	C3	C4	H10	109.455
C4	C2	H5	113.407	C4	C2	H6	118.410
C4	C3	H7	113.407	C4	C3	H8	118.410
H5	C2	H6	110.130	H7	C3	H8	110.130
H9	C4	H10	109.433

All results from a given calculation for C₃H₆S (Thietane)

using model chemistry: MP2=FULL/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for C₃H₆S (Thietane)