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	hartrees
Energy at 0K	-628.182603
Energy at 298.15K	-628.190152
HF Energy	-627.338228
Nuclear repulsion energy	288.803328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3207	3010	5.13
2	A	3202	3006	0.62
3	A	3181	2986	6.29
4	A	3138	2945	19.40
5	A	3131	2939	10.76
6	A	3115	2924	4.20
7	A	1907	1790	174.98
8	A	1555	1460	2.93
9	A	1517	1424	6.54
10	A	1514	1421	11.40
11	A	1361	1277	5.74
12	A	1357	1274	16.86
13	A	1290	1211	26.26
14	A	1266	1188	4.69
15	A	1213	1139	25.23
16	A	1202	1128	22.11
17	A	1145	1075	4.23
18	A	1035	972	5.43
19	A	1024	961	2.02
20	A	917	861	6.18
21	A	875	822	0.82
22	A	824	773	0.98
23	A	763	716	4.74
24	A	718	674	0.56
25	A	577	542	3.68
26	A	502	471	5.24
27	A	459	430	5.15
28	A	440	413	5.09
29	A	198	186	2.15
30	A	69	65	11.45

Atom	x (Å)	y (Å)	z (Å)
C1	-1.168	-0.085	-0.013
C2	-0.516	1.278	-0.201
H3	-1.112	2.042	0.305
H4	-0.525	1.499	-1.276
C5	0.921	1.182	0.307
H6	0.967	1.310	1.392
H7	1.582	1.915	-0.157
C8	-0.141	-1.206	0.174
S9	1.499	-0.494	-0.156
H10	-0.361	-2.022	-0.517
O11	-2.361	-0.282	-0.007
H12	-0.222	-1.590	1.196

	C1	C2	H3	H4	C5	H6	H7	C8	S9	H10	O11	H12
C1		1.5233	2.1518	2.1256	2.4641	2.9121	3.4040	1.5316	2.7023	2.1585	1.2090	2.1493
C2	1.5233		1.0933	1.0969	1.5270	2.1767	2.1928	2.5403	2.6838	3.3192	2.4246	3.2037
H3	2.1518	1.0933		1.7718	2.2074	2.4573	2.7359	3.3928	3.6689	4.2143	2.6575	3.8439
H4	2.1256	1.0969	1.7718		2.1667	3.0621	2.4214	3.0925	3.0530	3.6055	2.8556	3.9672
C5	2.4641	1.5270	2.2074	2.1667		1.0937	1.0910	2.6168	1.8318	3.5477	3.6074	3.1271
H6	2.9121	2.1767	2.4573	3.0621	1.0937		1.7726	3.0076	2.4357	4.0636	3.9460	3.1407
H7	3.4040	2.1928	2.7359	2.4214	1.0910	1.7726		3.5810	2.4109	4.4055	4.5167	4.1680
C8	1.5316	2.5403	3.3928	3.0925	2.6168	3.0076	3.5810		1.8183	1.0915	2.4110	1.0948
S9	2.7023	2.6838	3.6689	3.0530	1.8318	2.4357	2.4109	1.8183		2.4340	3.8687	2.4475
H10	2.1585	3.3192	4.2143	3.6055	3.5477	4.0636	4.4055	1.0915	2.4340		2.6999	1.7722
O11	1.2090	2.4246	2.6575	2.8556	3.6074	3.9460	4.5167	2.4110	3.8687	2.6999		2.7803
H12	2.1493	3.2037	3.8439	3.9672	3.1271	3.1407	4.1680	1.0948	2.4475	1.7722	2.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	109.549	C1	C2	H4	107.316
C1	C2	C5	107.773	C1	C8	S9	107.230
C1	C8	H10	109.604	C1	C8	H12	108.691
C2	C1	C8	112.515	C2	C1	O11	124.700
C2	C5	H6	111.248	C2	C5	H7	112.712
C2	C5	S9	105.715	H3	C2	H4	107.996
H3	C2	C5	113.766	H4	C2	C5	110.255
C5	S9	C8	91.598	H6	C5	H7	108.469
H6	C5	S9	110.161	H7	C5	S9	108.476
C8	C1	O11	122.785	S9	C8	H10	111.064
S9	C8	H12	111.904	H10	C8	H12	108.305

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

using model chemistry: MP3/6-31G*

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-3-(2H)-thiophenone)

using model chemistry: MP3/6-31G*

States and conformations

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