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	hartrees
Energy at 0K	-240.154672
Energy at 298.15K	-240.162125
HF Energy	-239.628766
Nuclear repulsion energy	200.852729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3054	17.17
2	A	3132	3017	19.90
3	A	3122	3007	14.91
4	A	3084	2971	30.80
5	A	3057	2944	28.47
6	A	3040	2928	13.80
7	A	1602	1543	253.07
8	A	1517	1461	1.69
9	A	1508	1452	7.08
10	A	1494	1439	9.89
11	A	1400	1348	0.65
12	A	1357	1307	5.23
13	A	1353	1303	13.04
14	A	1266	1220	1.73
15	A	1203	1158	4.46
16	A	1142	1100	4.79
17	A	1073	1034	10.30
18	A	1062	1023	1.30
19	A	1027	989	81.93
20	A	908	875	26.06
21	A	895	862	6.12
22	A	850	819	24.68
23	A	655	631	1.74
24	A	589	567	6.32
25	A	561	540	53.15
26	A	466	449	2.84
27	A	452	435	1.21
28	A	381	367	6.39
29	A	221	213	1.75
30	A	113	109	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.114	-1.146	0.206
H2	0.568	-1.996	-0.330
H3	0.099	-1.378	1.290
C4	-1.316	-0.790	-0.298
H5	-2.070	-1.494	0.096
H6	-1.337	-0.827	-1.403
C7	-1.634	0.667	0.178
H8	-1.890	0.695	1.250
H9	-2.435	1.129	-0.418
C10	1.019	0.101	0.011
O11	2.270	0.106	-0.061
S12	-0.031	1.671	-0.096

	C1	H2	H3	C4	H5	H6	C7	H8	H9	C10	O11	S12
C1		1.1033	1.1084	1.5570	2.2139	2.1897	2.5185	2.9142	3.4730	1.5529	2.5071	2.8361
H2	1.1033		1.7959	2.2374	2.7189	2.4799	3.4933	3.9725	4.3355	2.1725	2.7180	3.7231
H3	1.1084	1.7959		2.2067	2.4785	3.1010	2.9021	2.8731	3.9528	2.1606	2.9558	3.3510
C4	1.5570	2.2374	2.2067		1.1047	1.1054	1.5656	2.2205	2.2248	2.5175	3.7032	2.7827
H5	2.2139	2.7189	2.4785	1.1047		1.7968	2.2064	2.4812	2.6981	3.4771	4.6278	3.7692
H6	2.1897	2.4799	3.1010	1.1054	1.7968		2.1953	3.1076	2.4495	2.8998	3.9598	3.1064
C7	2.5185	3.4933	2.9021	1.5656	2.2064	2.1953		1.1021	1.1002	2.7175	3.9512	1.9106
H8	2.9142	3.9725	2.8731	2.2205	2.4812	3.1076	1.1021		1.8078	3.2164	4.4007	2.4930
H9	3.4730	4.3355	3.9528	2.2248	2.6981	2.4495	1.1002	1.8078		3.6288	4.8280	2.4848
C10	1.5529	2.1725	2.1606	2.5175	3.4771	2.8998	2.7175	3.2164	3.6288		1.2533	1.8912
O11	2.5071	2.7180	2.9558	3.7032	4.6278	3.9598	3.9512	4.4007	4.8280	1.2533		2.7830
S12	2.8361	3.7231	3.3510	2.7827	3.7692	3.1064	1.9106	2.4930	2.4848	1.8912	2.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	111.432	C1	C4	H6	109.497
C1	C4	C7	107.517	C1	C10	O11	126.283
C1	C10	S12	110.485	H2	C1	H3	108.584
H2	C1	C4	113.400	H2	C1	C10	108.562
H3	C1	C4	110.635	H3	C1	C10	107.372
C4	C1	C10	108.097	C4	C7	H8	111.506
C4	C7	H9	111.956	C4	C7	S12	105.932
H5	C4	H6	108.786	H5	C4	C7	110.241
H6	C4	C7	109.342	C7	S12	C10	91.253
H8	C7	H9	110.339	H8	C7	S12	108.704
H9	C7	S12	108.206	O11	C10	S12	123.230

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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