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	hartrees
Energy at 0K	-554.039164
Energy at 298.15K	-554.045783
Nuclear repulsion energy	209.492669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	3103	27.97
2	A₁	2990	2967	0.04
3	A₁	1660	1647	5.79
4	A₁	1484	1472	7.77
5	A₁	1257	1247	1.85
6	A₁	1146	1137	0.26
7	A₁	932	924	0.34
8	A₁	634	629	3.50
9	A₁	481	478	0.39
10	A₂	3031	3008	0.00
11	A₂	1118	1110	0.00
12	A₂	942	935	0.00
13	A₂	930	923	0.00
14	A₂	370	367	0.00
15	B₁	3033	3010	32.83
16	B₁	1113	1104	9.41
17	B₁	874	867	0.18
18	B₁	673	668	48.78
19	B₁	122	121	5.68
20	B₂	3100	3077	5.86
21	B₂	2989	2967	69.76
22	B₂	1482	1471	0.00
23	B₂	1357	1347	3.55
24	B₂	1221	1212	7.18
25	B₂	962	955	7.76
26	B₂	801	795	0.73
27	B₂	557	552	0.97

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.312
C2	0.000	1.396	-0.037
C3	0.000	-1.396	-0.037
C4	0.000	0.674	-1.368
C5	0.000	-0.674	-1.368
H6	-0.895	2.022	0.111
H7	0.895	2.022	0.111
H8	0.895	-2.022	0.111
H9	-0.895	-2.022	0.111
H10	0.000	1.268	-2.287
H11	0.000	-1.268	-2.287

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.9411	1.9411	2.7629	2.7629	2.5165	2.5165	2.5165	2.5165	3.8159	3.8159
C2	1.9411		2.7916	1.5137	2.4605	1.1026	1.1026	3.5362	3.5362	2.2538	3.4868
C3	1.9411	2.7916		2.4605	1.5137	3.5362	3.5362	1.1026	1.1026	3.4868	2.2538
C4	2.7629	1.5137	2.4605		1.3480	2.1917	2.1917	3.2023	3.2023	1.0947	2.1485
C5	2.7629	2.4605	1.5137	1.3480		3.2023	3.2023	2.1917	2.1917	2.1485	1.0947
H6	2.5165	1.1026	3.5362	2.1917	3.2023		1.7909	4.4226	4.0438	2.6684	4.1681
H7	2.5165	1.1026	3.5362	2.1917	3.2023	1.7909		4.0438	4.4226	2.6684	4.1681
H8	2.5165	3.5362	1.1026	3.2023	2.1917	4.4226	4.0438		1.7909	4.1681	2.6684
H9	2.5165	3.5362	1.1026	3.2023	2.1917	4.0438	4.4226	1.7909		4.1681	2.6684
H10	3.8159	2.2538	3.4868	1.0947	2.1485	2.6684	2.6684	4.1681	4.1681		2.5355
H11	3.8159	3.4868	2.2538	2.1485	1.0947	4.1681	4.1681	2.6684	2.6684	2.5355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.540	S1	C2	H6	108.375
S1	C2	H7	108.375	S1	C3	C5	105.540
S1	C3	H8	108.375	S1	C3	H9	108.375
C2	S1	C3	91.957	C2	C4	C5	118.482
C2	C4	H10	118.673	C3	C5	C4	118.482
C3	C5	H11	118.673	C4	C2	H6	112.864
C4	C2	H7	112.864	C4	C5	H11	122.845
C5	C3	H8	112.864	C5	C3	H9	112.864
C5	C4	H10	122.845	H6	C2	H7	108.613
H8	C3	H9	108.613

All results from a given calculation for C₄H₆S (Thiophene, 2,5-dihydro-)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	S	0.142
2	C	-0.477
3	C	-0.477
4	C	-0.039
5	C	-0.039
6	H	0.165
7	H	0.165
8	H	0.165
9	H	0.165
10	H	0.115
11	H	0.115

<r²>	135.395
(<r²>)^1/2	11.636

All results from a given calculation for C4H6S (Thiophene, 2,5-dihydro-)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₄H₆S (Thiophene, 2,5-dihydro-)