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	hartrees
Energy at 0K	-553.373777
Energy at 298.15K	-553.380728
HF Energy	-552.541033
Nuclear repulsion energy	218.079473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3261	3102	4.77
2	A	3234	3077	0.31
3	A	3179	3025	6.52
4	A	3137	2984	15.68
5	A	3096	2946	17.01
6	A	3051	2903	28.26
7	A	1607	1529	11.46
8	A	1490	1418	1.39
9	A	1476	1404	3.74
10	A	1344	1279	0.70
11	A	1324	1260	2.93
12	A	1285	1223	15.44
13	A	1202	1144	2.03
14	A	1150	1094	0.72
15	A	1119	1064	1.14
16	A	1028	978	4.76
17	A	1010	961	3.16
18	A	939	894	2.72
19	A	924	880	0.75
20	A	872	830	1.07
21	A	808	769	23.17
22	A	702	668	9.80
23	A	694	661	31.88
24	A	657	625	17.21
25	A	497	473	0.52
26	A	411	391	2.02
27	A	196	186	0.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.067	-1.248	0.224
H2	-0.065	-1.470	1.289
H3	0.140	-2.157	-0.335
C4	-1.376	-0.571	-0.187
H5	-2.210	-0.981	0.381
H6	-1.583	-0.741	-1.248
C7	0.111	1.271	0.087
H8	0.481	2.282	0.175
C9	-1.174	0.897	0.063
H10	-1.993	1.598	0.123
S11	1.266	-0.039	-0.094

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0886	1.0865	1.5301	2.1659	2.1730	2.5297	3.5725	2.4197	3.4388	1.8276
H2	1.0886		1.7757	2.1693	2.3804	3.0452	2.9986	3.9514	2.8876	3.8070	2.3944
H3	1.0865	1.7757		2.1989	2.7238	2.4096	3.4542	4.4807	3.3484	4.3430	2.4107
C4	1.5301	2.1693	2.1989		1.0896	1.0942	2.3834	3.4228	1.5030	2.2766	2.6967
H5	2.1659	2.3804	2.7238	1.0896		1.7619	3.2481	4.2345	2.1692	2.6015	3.6331
H6	2.1730	3.0452	2.4096	1.0942	1.7619		2.9500	3.9270	2.1375	2.7422	3.1532
C7	2.5297	2.9986	3.4542	2.3834	3.2481	2.9500		1.0794	1.3384	2.1300	1.7560
H8	3.5725	3.9514	4.4807	3.4228	4.2345	3.9270	1.0794		2.1601	2.5672	2.4647
C9	2.4197	2.8876	3.3484	1.5030	2.1692	2.1375	1.3384	2.1601		1.0802	2.6180
H10	3.4388	3.8070	4.3430	2.2766	2.6015	2.7422	2.1300	2.5672	1.0802		3.6540
S11	1.8276	2.3944	2.4107	2.6967	3.6331	3.1532	1.7560	2.4647	2.6180	3.6540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.406	C1	C4	H6	110.692
C1	C4	C9	105.830	C1	S11	C7	89.780
H2	C1	H3	109.457	H2	C1	C4	110.741
H2	C1	S11	107.679	H3	C1	C4	113.265
H3	C1	S11	108.974	C4	C1	S11	106.526
C4	C9	C7	113.907	C4	C9	H10	122.756
H5	C4	H6	107.569	H5	C4	C9	112.608
H6	C4	C9	109.767	C7	C9	H10	123.100
H8	C7	C9	126.281	H8	C7	S11	118.793
C9	C7	S11	114.897

All results from a given calculation for C₄H₆S (Thiophene, 2,3-dihydro-)

using model chemistry: MP2/Def2TZVPP

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 C4H6S (Thiophene, 2,3-dihydro-)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₆S (Thiophene, 2,3-dihydro-)