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	hartrees
Energy at 0K	-628.315516
Energy at 298.15K	-628.323041
HF Energy	-627.416062
Nuclear repulsion energy	289.316173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3180	3022	6.00
2	A	3172	3014	0.76
3	A	3164	3007	5.91
4	A	3102	2948	23.36
5	A	3094	2940	13.41
6	A	3090	2936	4.73
7	A	1798	1709	145.35
8	A	1502	1427	2.37
9	A	1464	1391	5.43
10	A	1462	1389	11.18
11	A	1334	1267	13.84
12	A	1322	1256	12.89
13	A	1256	1193	26.88
14	A	1234	1173	4.65
15	A	1180	1121	6.26
16	A	1163	1105	46.60
17	A	1130	1073	5.94
18	A	1021	970	8.37
19	A	999	949	1.24
20	A	892	848	7.40
21	A	856	814	1.77
22	A	816	776	0.46
23	A	746	709	5.68
24	A	707	672	0.63
25	A	561	533	2.83
26	A	491	466	4.63
27	A	450	428	3.54
28	A	430	409	4.29
29	A	211	201	1.83
30	A	67	64	9.58

Atom	x (Å)	y (Å)	z (Å)
C1	-1.172	-0.084	-0.016
C2	-0.506	1.272	-0.224
H3	-1.113	2.055	0.238
H4	-0.469	1.445	-1.306
C5	0.910	1.170	0.330
H6	0.913	1.263	1.420
H7	1.585	1.915	-0.093
C8	-0.132	-1.200	0.169
S9	1.499	-0.487	-0.158
H10	-0.353	-2.015	-0.521
O11	-2.366	-0.282	0.005
H12	-0.216	-1.575	1.195

	C1	C2	H3	H4	C5	H6	H7	C8	S9	H10	O11	H12
C1		1.5253	2.1545	2.1203	2.4546	2.8684	3.4064	1.5368	2.7050	2.1579	1.2104	2.1459
C2	1.5253		1.0929	1.0964	1.5234	2.1717	2.1913	2.5308	2.6679	3.3047	2.4348	3.1944
H3	2.1545	1.0929		1.7807	2.2099	2.4760	2.7218	3.3997	3.6659	4.2096	2.6614	3.8595
H4	2.1203	1.0964	1.7807		2.1569	3.0617	2.4311	3.0471	2.9869	3.5502	2.8812	3.9293
C5	2.4546	1.5234	2.2099	2.1569		1.0939	1.0912	2.5928	1.8244	3.5304	3.5975	3.0899
H6	2.8684	2.1717	2.4760	3.0617	1.0939		1.7786	2.9532	2.4279	4.0153	3.8916	3.0630
H7	3.4064	2.1913	2.7218	2.4311	1.0912	1.7786		3.5661	2.4043	4.4033	4.5218	4.1331
C8	1.5368	2.5308	3.3997	3.0471	2.5928	2.9532	3.5661		1.8096	1.0918	2.4211	1.0953
S9	2.7050	2.6679	3.6659	2.9869	1.8244	2.4279	2.4043	1.8096		2.4288	3.8739	2.4405
H10	2.1579	3.3047	4.2096	3.5502	3.5304	4.0153	4.4033	1.0918	2.4288		2.7083	1.7773
O11	1.2104	2.4348	2.6614	2.8812	3.5975	3.8916	4.5218	2.4211	3.8739	2.7083		2.7769
H12	2.1459	3.1944	3.8595	3.9293	3.0899	3.0630	4.1331	1.0953	2.4405	1.7773	2.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	109.652	C1	C2	H4	106.809
C1	C2	C5	107.245	C1	C8	S9	107.590
C1	C8	H10	109.187	C1	C8	H12	108.060
C2	C1	C8	111.480	C2	C1	O11	125.357
C2	C5	H6	111.084	C2	C5	H7	112.833
C2	C5	S9	105.314	H3	C2	H4	108.848
H3	C2	C5	114.266	H4	C2	C5	109.756
C5	S9	C8	91.040	H6	C5	H7	108.978
H6	C5	S9	110.070	H7	C5	S9	108.471
C8	C1	O11	123.163	S9	C8	H10	111.258
S9	C8	H12	111.950	H10	C8	H12	108.709

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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