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	hartrees
Energy at 0K	-553.210657
Energy at 298.15K	-553.217417
HF Energy	-552.483499
Nuclear repulsion energy	214.123509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3226	3095	16.17
2	A₁	3069	2945	0.02
3	A₁	1725	1655	5.39
4	A₁	1493	1432	3.79
5	A₁	1304	1251	0.47
6	A₁	1136	1090	0.27
7	A₁	975	935	0.14
8	A₁	727	697	1.71
9	A₁	519	498	0.05
10	A₂	3113	2987	0.00
11	A₂	1151	1104	0.00
12	A₂	970	931	0.00
13	A₂	945	906	0.00
14	A₂	366	351	0.00
15	B₁	3115	2988	27.77
16	B₁	1138	1092	11.12
17	B₁	913	876	0.86
18	B₁	683	656	37.80
19	B₁	83	80	3.01
20	B₂	3201	3071	3.39
21	B₂	3069	2945	71.20
22	B₂	1489	1428	0.39
23	B₂	1374	1318	1.46
24	B₂	1259	1208	7.54
25	B₂	989	949	6.35
26	B₂	831	797	0.69
27	B₂	655	628	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.257
C2	0.000	1.355	0.003
C3	0.000	-1.355	0.003
C4	0.000	0.673	-1.347
C5	0.000	-0.673	-1.347
H6	-0.894	1.992	0.135
H7	0.894	1.992	0.135
H8	0.894	-1.992	0.135
H9	-0.894	-1.992	0.135
H10	0.000	1.273	-2.264
H11	0.000	-1.273	-2.264

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8463	1.8463	2.6894	2.6894	2.4546	2.4546	2.4546	2.4546	3.7448	3.7448
C2	1.8463		2.7097	1.5124	2.4356	1.1056	1.1056	3.4666	3.4666	2.2688	3.4711
C3	1.8463	2.7097		2.4356	1.5124	3.4666	3.4666	1.1056	1.1056	3.4711	2.2688
C4	2.6894	1.5124	2.4356		1.3451	2.1764	2.1764	3.1774	3.1774	1.0968	2.1515
C5	2.6894	2.4356	1.5124	1.3451		3.1774	3.1774	2.1764	2.1764	2.1515	1.0968
H6	2.4546	1.1056	3.4666	2.1764	3.1774		1.7876	4.3666	3.9840	2.6598	4.1498
H7	2.4546	1.1056	3.4666	2.1764	3.1774	1.7876		3.9840	4.3666	2.6598	4.1498
H8	2.4546	3.4666	1.1056	3.1774	2.1764	4.3666	3.9840		1.7876	4.1498	2.6598
H9	2.4546	3.4666	1.1056	3.1774	2.1764	3.9840	4.3666	1.7876		4.1498	2.6598
H10	3.7448	2.2688	3.4711	1.0968	2.1515	2.6598	2.6598	4.1498	4.1498		2.5468
H11	3.7448	3.4711	2.2688	2.1515	1.0968	4.1498	4.1498	2.6598	2.6598	2.5468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.976	S1	C2	H6	109.966
S1	C2	H7	109.966	S1	C3	C5	105.976
S1	C3	H8	109.966	S1	C3	H9	109.966
C2	S1	C3	94.416	C2	C4	C5	116.816
C2	C4	H10	119.969	C3	C5	C4	116.816
C3	C5	H11	119.969	C4	C2	H6	111.528
C4	C2	H7	111.528	C4	C5	H11	123.214
C5	C3	H8	111.528	C5	C3	H9	111.528
C5	C4	H10	123.214	H6	C2	H7	107.882
H8	C3	H9	107.882

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

using model chemistry: QCISD/cc-pVDZ

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/cc-pVDZ

States and conformations

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