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	hartrees
Energy at 0K	-628.196182
Energy at 298.15K	-628.203713
HF Energy	-627.346778
Nuclear repulsion energy	289.121677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3233	3027	5.17
2	A	3226	3021	0.57
3	A	3215	3011	4.81
4	A	3154	2954	20.65
5	A	3145	2945	10.61
6	A	3140	2940	3.90
7	A	1805	1690	125.35
8	A	1543	1445	1.92
9	A	1503	1408	5.98
10	A	1500	1405	8.62
11	A	1350	1264	12.48
12	A	1344	1259	12.16
13	A	1271	1190	23.94
14	A	1253	1174	4.87
15	A	1196	1120	10.56
16	A	1184	1109	40.68
17	A	1140	1068	4.29
18	A	1032	967	6.62
19	A	1014	950	1.39
20	A	906	849	5.43
21	A	869	814	0.93
22	A	819	767	0.59
23	A	756	708	5.51
24	A	715	670	0.64
25	A	569	533	3.13
26	A	494	462	4.18
27	A	451	423	3.71
28	A	432	405	4.88
29	A	204	191	2.20
30	A	67	63	10.27

Atom	x (Å)	y (Å)	z (Å)
C1	-1.166	-0.083	-0.015
C2	-0.507	1.275	-0.210
H3	-1.105	2.045	0.276
H4	-0.496	1.478	-1.284
C5	0.916	1.173	0.318
H6	0.943	1.287	1.402
H7	1.584	1.909	-0.124
C8	-0.135	-1.200	0.176
S9	1.498	-0.491	-0.159
H10	-0.356	-2.017	-0.509
O11	-2.370	-0.282	-0.004
H12	-0.218	-1.576	1.197

	C1	C2	H3	H4	C5	H6	H7	C8	S9	H10	O11	H12
C1		1.5222	2.1481	2.1202	2.4543	2.8861	3.3975	1.5324	2.6989	2.1551	1.2205	2.1443
C2	1.5222		1.0891	1.0927	1.5213	2.1680	2.1867	2.5331	2.6726	3.3098	2.4370	3.1930
H3	2.1481	1.0891		1.7684	2.2015	2.4566	2.7221	3.3885	3.6600	4.2047	2.6632	3.8401
H4	2.1202	1.0927	1.7684		2.1565	3.0524	2.4201	3.0711	3.0193	3.5827	2.8719	3.9443
C5	2.4543	1.5213	2.2015	2.1565		1.0903	1.0875	2.6000	1.8264	3.5327	3.6085	3.1013
H6	2.8861	2.1680	2.4566	3.0524	1.0903		1.7678	2.9754	2.4299	4.0316	3.9261	3.0961
H7	3.3975	2.1867	2.7221	2.4201	1.0875	1.7678		3.5660	2.4024	4.3965	4.5224	4.1399
C8	1.5324	2.5331	3.3885	3.0711	2.6000	2.9754	3.5660		1.8114	1.0882	2.4230	1.0916
S9	2.6989	2.6726	3.6600	3.0193	1.8264	2.4299	2.4024	1.8114		2.4262	3.8767	2.4408
H10	2.1551	3.3098	4.2047	3.5827	3.5327	4.0316	4.3965	1.0882	2.4262		2.7064	1.7673
O11	1.2205	2.4370	2.6632	2.8719	3.6085	3.9261	4.5224	2.4230	3.8767	2.7064		2.7841
H12	2.1443	3.1930	3.8401	3.9443	3.1013	3.0961	4.1399	1.0916	2.4408	1.7673	2.7841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	109.577	C1	C2	H4	107.210
C1	C2	C5	107.493	C1	C8	S9	107.337
C1	C8	H10	109.476	C1	C8	H12	108.441
C2	C1	C8	112.052	C2	C1	O11	125.028
C2	C5	H6	111.155	C2	C5	H7	112.848
C2	C5	S9	105.586	H3	C2	H4	108.294
H3	C2	C5	113.969	H4	C2	C5	110.092
C5	S9	C8	91.238	H6	C5	H7	108.531
H6	C5	S9	110.272	H7	C5	S9	108.387
C8	C1	O11	122.920	S9	C8	H10	111.131
S9	C8	H12	112.052	H10	C8	H12	108.347

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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