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	hartrees
Energy at 0K	-553.204862
Energy at 298.15K	-553.211643
HF Energy	-552.483737
Nuclear repulsion energy	214.321832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3095	15.40
2	A₁	3078	2945	0.01
3	A₁	1739	1664	5.30
4	A₁	1496	1431	3.63
5	A₁	1310	1253	0.31
6	A₁	1141	1091	0.30
7	A₁	979	937	0.12
8	A₁	735	703	1.47
9	A₁	521	498	0.06
10	A₂	3124	2989	0.00
11	A₂	1157	1106	0.00
12	A₂	975	933	0.00
13	A₂	950	909	0.00
14	A₂	368	352	0.00
15	B₁	3125	2990	26.27
16	B₁	1143	1093	11.15
17	B₁	916	876	0.95
18	B₁	686	657	38.03
19	B₁	83	80	3.02
20	B₂	3209	3070	3.08
21	B₂	3078	2945	67.28
22	B₂	1492	1427	0.22
23	B₂	1379	1319	1.66
24	B₂	1266	1211	7.67
25	B₂	993	950	5.76
26	B₂	835	799	0.64
27	B₂	661	633	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.256
C2	0.000	1.353	0.003
C3	0.000	-1.353	0.003
C4	0.000	0.671	-1.346
C5	0.000	-0.671	-1.346
H6	-0.893	1.990	0.136
H7	0.893	1.990	0.136
H8	0.893	-1.990	0.136
H9	-0.893	-1.990	0.136
H10	0.000	1.272	-2.263
H11	0.000	-1.272	-2.263

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8438	1.8438	2.6873	2.6873	2.4524	2.4524	2.4524	2.4524	3.7422	3.7422
C2	1.8438		2.7061	1.5119	2.4331	1.1052	1.1052	3.4631	3.4631	2.2682	3.4685
C3	1.8438	2.7061		2.4331	1.5119	3.4631	3.4631	1.1052	1.1052	3.4685	2.2682
C4	2.6873	1.5119	2.4331		1.3428	2.1756	2.1756	3.1747	3.1747	1.0965	2.1492
C5	2.6873	2.4331	1.5119	1.3428		3.1747	3.1747	2.1756	2.1756	2.1492	1.0965
H6	2.4524	1.1052	3.4631	2.1756	3.1747		1.7865	4.3631	3.9806	2.6588	4.1470
H7	2.4524	1.1052	3.4631	2.1756	3.1747	1.7865		3.9806	4.3631	2.6588	4.1470
H8	2.4524	3.4631	1.1052	3.1747	2.1756	4.3631	3.9806		1.7865	4.1470	2.6588
H9	2.4524	3.4631	1.1052	3.1747	2.1756	3.9806	4.3631	1.7865		4.1470	2.6588
H10	3.7422	2.2682	3.4685	1.0965	2.1492	2.6588	2.6588	4.1470	4.1470		2.5445
H11	3.7422	3.4685	2.2682	2.1492	1.0965	4.1470	4.1470	2.6588	2.6588	2.5445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.993	S1	C2	H6	109.985
S1	C2	H7	109.985	S1	C3	C5	105.993
S1	C3	H8	109.985	S1	C3	H9	109.985
C2	S1	C3	94.418	C2	C4	C5	116.798
C2	C4	H10	119.974	C3	C5	C4	116.798
C3	C5	H11	119.974	C4	C2	H6	111.519
C4	C2	H7	111.519	C4	C5	H11	123.228
C5	C3	H8	111.519	C5	C3	H9	111.519
C5	C4	H10	123.228	H6	C2	H7	107.846
H8	C3	H9	107.846

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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