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	hartrees
Energy at 0K	-628.294177
Energy at 298.15K	-628.301944
HF Energy	-627.363454
Nuclear repulsion energy	292.226517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3236	3014	9.14
2	A	3225	3004	7.31
3	A	3205	2986	19.10
4	A	3166	2949	18.14
5	A	3150	2934	22.18
6	A	3137	2923	7.14
7	A	1863	1736	394.89
8	A	1556	1449	0.20
9	A	1541	1435	5.94
10	A	1517	1413	7.94
11	A	1408	1312	0.28
12	A	1366	1273	3.70
13	A	1363	1270	9.09
14	A	1284	1196	1.88
15	A	1231	1147	1.94
16	A	1151	1072	23.14
17	A	1120	1043	63.04
18	A	1073	1000	7.89
19	A	1065	992	17.89
20	A	952	886	7.68
21	A	903	841	6.84
22	A	868	809	9.97
23	A	727	677	1.58
24	A	656	611	38.64
25	A	622	579	8.32
26	A	499	465	0.47
27	A	488	455	2.21
28	A	423	394	3.94
29	A	238	222	1.26
30	A	124	116	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.113	1.420	0.191
H2	-0.566	2.249	-0.347
H3	-0.109	1.668	1.254
C4	1.286	1.058	-0.293
H5	2.039	1.748	0.084
H6	1.318	1.085	-1.381
C7	1.566	-0.370	0.190
H8	1.847	-0.382	1.241
H9	2.354	-0.845	-0.386
C10	-0.994	0.187	0.021
O11	-2.194	0.182	-0.054
S12	0.013	-1.297	-0.043

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	O11	S12
C1		1.0867	1.0922	1.5235	2.1794	2.1520	2.4539	2.8618	3.3978	1.5251	2.4339	2.7305
H2	1.0867		1.7636	2.2022	2.6874	2.4442	3.4190	3.9066	4.2538	2.1377	2.6475	3.6060
H3	1.0922	1.7636		2.1704	2.4478	3.0534	2.8440	2.8328	3.8817	2.1205	2.8749	3.2388
C4	1.5235	2.2022	2.1704		1.0883	1.0896	1.5331	2.1772	2.1839	2.4612	3.5966	2.6894
H5	2.1794	2.6874	2.4478	1.0883		1.7622	2.1723	2.4313	2.6533	3.4121	4.5157	3.6601
H6	2.1520	2.4442	3.0534	1.0896	1.7622		2.1559	3.0510	2.4056	2.8498	3.8620	3.0286
C7	2.4539	3.4190	2.8440	1.5331	2.1723	2.1559		1.0879	1.0855	2.6256	3.8081	1.8242
H8	2.8618	3.9066	2.8328	2.1772	2.4313	3.0510	1.0879		1.7661	3.1440	4.2805	2.4190
H9	3.3978	4.2538	3.8817	2.1839	2.6533	2.4056	1.0855	1.7661		3.5271	4.6741	2.4090
C10	1.5251	2.1377	2.1205	2.4612	3.4121	2.8498	2.6256	3.1440	3.5271		1.2020	1.7951
O11	2.4339	2.6475	2.8749	3.5966	4.5157	3.8620	3.8081	4.2805	4.6741	1.2020		2.6569
S12	2.7305	3.6060	3.2388	2.6894	3.6601	3.0286	1.8242	2.4190	2.4090	1.7951	2.6569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	112.041	C1	C4	H6	109.766
C1	C4	C7	106.799	C1	C10	O11	125.963
C1	C10	S12	110.380	H2	C1	H3	108.076
H2	C1	C4	114.018	H2	C1	C10	108.702
H3	C1	C4	111.070	H3	C1	C10	107.067
C4	C1	C10	107.665	C4	C7	H8	111.200
C4	C7	H9	111.891	C4	C7	S12	106.139
H5	C4	H6	108.019	H5	C4	C7	110.789
H6	C4	C7	109.410	C7	S12	C10	93.009
H8	C7	H9	108.704	H8	C7	S12	109.738
H9	C7	S12	109.119	O11	C10	S12	123.655

All results from a given calculation for C₄H₆OS (Dihydro-2-(3H)-thiophenone)

using model chemistry: MP3=FULL/6-31+G**

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 C4H6OS (Dihydro-2-(3H)-thiophenone)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₆OS (Dihydro-2-(3H)-thiophenone)