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	hartrees
Energy at 0K	-552.823290
Energy at 298.15K	-552.830043
HF Energy	-552.358581
Nuclear repulsion energy	209.844428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3063	21.69
2	A₁	3061	2949	0.01
3	A₁	1697	1635	3.78
4	A₁	1541	1485	7.29
5	A₁	1314	1266	0.42
6	A₁	1188	1145	0.47
7	A₁	955	920	0.33
8	A₁	665	641	2.67
9	A₁	500	481	0.00
10	A₂	3110	2996	0.00
11	A₂	1165	1122	0.00
12	A₂	989	953	0.00
13	A₂	949	915	0.00
14	A₂	382	369	0.00
15	B₁	3112	2998	24.72
16	B₁	1156	1114	10.82
17	B₁	931	897	0.20
18	B₁	699	674	49.83
19	B₁	110	106	5.20
20	B₂	3150	3035	4.51
21	B₂	3060	2949	52.54
22	B₂	1539	1483	0.01
23	B₂	1404	1353	5.45
24	B₂	1286	1240	8.77
25	B₂	994	958	4.88
26	B₂	822	793	1.11
27	B₂	594	573	0.67

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.304
C2	0.000	1.395	-0.028
C3	0.000	-1.395	-0.028
C4	0.000	0.676	-1.368
C5	0.000	-0.676	-1.368
H6	-0.897	2.014	0.115
H7	0.897	2.014	0.115
H8	0.897	-2.014	0.115
H9	-0.897	-2.014	0.115
H10	0.000	1.274	-2.284
H11	0.000	-1.274	-2.284

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.9289	1.9289	2.7566	2.7566	2.5050	2.5050	2.5050	2.5050	3.8073	3.8073
C2	1.9289		2.7891	1.5205	2.4659	1.0994	1.0994	3.5275	3.5275	2.2585	3.4936
C3	1.9289	2.7891		2.4659	1.5205	3.5275	3.5275	1.0994	1.0994	3.4936	2.2585
C4	2.7566	1.5205	2.4659		1.3513	2.1899	2.1899	3.1998	3.1998	1.0934	2.1535
C5	2.7566	2.4659	1.5205	1.3513		3.1998	3.1998	2.1899	2.1899	2.1535	1.0934
H6	2.5050	1.0994	3.5275	2.1899	3.1998		1.7937	4.4094	4.0280	2.6658	4.1673
H7	2.5050	1.0994	3.5275	2.1899	3.1998	1.7937		4.0280	4.4094	2.6658	4.1673
H8	2.5050	3.5275	1.0994	3.1998	2.1899	4.4094	4.0280		1.7937	4.1673	2.6658
H9	2.5050	3.5275	1.0994	3.1998	2.1899	4.0280	4.4094	1.7937		4.1673	2.6658
H10	3.8073	2.2585	3.4936	1.0934	2.1535	2.6658	2.6658	4.1673	4.1673		2.5471
H11	3.8073	3.4936	2.2585	2.1535	1.0934	4.1673	4.1673	2.6658	2.6658	2.5471

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.484	S1	C2	H6	108.496
S1	C2	H7	108.496	S1	C3	C5	105.484
S1	C3	H8	108.496	S1	C3	H9	108.496
C2	S1	C3	92.599	C2	C4	C5	118.216
C2	C4	H10	118.634	C3	C5	C4	118.216
C3	C5	H11	118.634	C4	C2	H6	112.417
C4	C2	H7	112.417	C4	C5	H11	123.150
C5	C3	H8	112.417	C5	C3	H9	112.417
C5	C4	H10	123.150	H6	C2	H7	109.328
H8	C3	H9	109.328

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

using model chemistry: QCISD/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 C4H6S (Thiophene, 2,5-dihydro-)

using model chemistry: QCISD/6-31G

States and conformations

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