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	hartrees
Energy at 0K	-628.271100
Energy at 298.15K	-628.278623
HF Energy	-627.407142
Nuclear repulsion energy	289.310756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3021	5.78
2	A	3171	3013	0.61
3	A	3162	3004	5.66
4	A	3102	2948	22.99
5	A	3091	2937	13.49
6	A	3090	2936	4.95
7	A	1795	1706	148.17
8	A	1524	1449	4.07
9	A	1483	1409	9.55
10	A	1482	1408	11.23
11	A	1340	1274	10.18
12	A	1332	1266	14.59
13	A	1267	1204	26.62
14	A	1244	1182	3.50
15	A	1190	1131	4.48
16	A	1169	1111	52.12
17	A	1138	1082	7.08
18	A	1025	974	8.35
19	A	1005	955	2.21
20	A	899	854	9.53
21	A	862	819	1.08
22	A	815	775	0.75
23	A	748	711	5.95
24	A	708	673	0.63
25	A	564	536	3.20
26	A	494	469	4.47
27	A	450	428	3.67
28	A	431	410	4.48
29	A	212	201	2.11
30	A	67	64	10.22

Atom	x (Å)	y (Å)	z (Å)
C1	-1.171	-0.086	-0.017
C2	-0.509	1.271	-0.217
H3	-1.116	2.043	0.263
H4	-0.496	1.467	-1.296
C5	0.910	1.179	0.320
H6	0.938	1.292	1.407
H7	1.582	1.909	-0.132
C8	-0.136	-1.202	0.165
S9	1.501	-0.489	-0.153
H10	-0.349	-2.009	-0.538
O11	-2.365	-0.281	0.006
H12	-0.221	-1.595	1.183

	C1	C2	H3	H4	C5	H6	H7	C8	S9	H10	O11	H12
C1		1.5231	2.1472	2.1223	2.4581	2.8933	3.4017	1.5333	2.7053	2.1556	1.2106	2.1493
C2	1.5231		1.0929	1.0965	1.5200	2.1749	2.1877	2.5304	2.6721	3.2998	2.4307	3.2028
H3	2.1472	1.0929		1.7737	2.2034	2.4678	2.7302	3.3910	3.6646	4.2007	2.6511	3.8573
H4	2.1223	1.0965	1.7737		2.1616	3.0645	2.4228	3.0644	3.0200	3.5609	2.8720	3.9494
C5	2.4581	1.5200	2.2034	2.1616		1.0927	1.0906	2.6050	1.8313	3.5333	3.5998	3.1169
H6	2.8933	2.1749	2.4678	3.0645	1.0927		1.7781	2.9860	2.4334	4.0421	3.9179	3.1189
H7	3.4017	2.1877	2.7302	2.4228	1.0906	1.7781		3.5664	2.3995	4.3871	4.5167	4.1541
C8	1.5333	2.5304	3.3910	3.0644	2.6050	2.9860	3.5664		1.8133	1.0917	2.4174	1.0944
S9	2.7053	2.6721	3.6646	3.0200	1.8313	2.4334	2.3995	1.8133		2.4252	3.8749	2.4437
H10	2.1556	3.2998	4.2007	3.5609	3.5333	4.0421	4.3871	1.0917	2.4252		2.7103	1.7754
O11	1.2106	2.4307	2.6511	2.8720	3.5998	3.9179	4.5167	2.4174	3.8749	2.7103		2.7765
H12	2.1493	3.2028	3.8573	3.9494	3.1169	3.1189	4.1541	1.0944	2.4437	1.7754	2.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H3	109.226	C1	C2	H4	107.090
C1	C2	C5	107.753	C1	C8	S9	107.581
C1	C8	H10	109.256	C1	C8	H12	108.607
C2	C1	C8	111.768	C2	C1	O11	125.136
C2	C5	H6	111.659	C2	C5	H7	112.827
C2	C5	S9	105.379	H3	C2	H4	108.215
H3	C2	C5	113.977	H4	C2	C5	110.360
C5	S9	C8	91.245	H6	C5	H7	109.059
H6	C5	S9	110.079	H7	C5	S9	107.700
C8	C1	O11	123.095	S9	C8	H10	110.734
S9	C8	H12	111.990	H10	C8	H12	108.617

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)