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	hartrees
Energy at 0K	-550.281033
Energy at 298.15K	-550.287803
HF Energy	-549.748384
Nuclear repulsion energy	213.217345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3064	12.84
2	A₁	3051	2932	0.24
3	A₁	1683	1617	1.57
4	A₁	1563	1502	7.66
5	A₁	1320	1269	0.48
6	A₁	1194	1148	0.67
7	A₁	918	883	0.17
8	A₁	705	678	2.47
9	A₁	530	510	0.12
10	A₂	3089	2969	0.00
11	A₂	1207	1160	0.00
12	A₂	1001	962	0.00
13	A₂	956	919	0.00
14	A₂	373	358	0.00
15	B₁	3091	2971	19.66
16	B₁	1192	1145	7.76
17	B₁	946	909	0.42
18	B₁	699	672	53.41
19	B₁	88	84	4.06
20	B₂	3160	3037	2.28
21	B₂	3051	2932	43.78
22	B₂	1563	1503	0.01
23	B₂	1399	1344	5.53
24	B₂	1296	1246	4.05
25	B₂	948	911	5.79
26	B₂	835	803	0.36
27	B₂	633	609	0.17

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.265
C2	0.000	1.364	0.005
C3	0.000	-1.364	0.005
C4	0.000	0.670	-1.360
C5	0.000	-0.670	-1.360
H6	-0.894	1.988	0.135
H7	0.894	1.988	0.135
H8	0.894	-1.988	0.135
H9	-0.894	-1.988	0.135
H10	0.000	1.278	-2.263
H11	0.000	-1.278	-2.263

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8567	1.8567	2.7093	2.7093	2.4550	2.4550	2.4550	2.4550	3.7528	3.7528
C2	1.8567		2.7277	1.5311	2.4499	1.0980	1.0980	3.4712	3.4712	2.2701	3.4824
C3	1.8567	2.7277		2.4499	1.5311	3.4712	3.4712	1.0980	1.0980	3.4824	2.2701
C4	2.7093	1.5311	2.4499		1.3409	2.1840	2.1840	3.1781	3.1781	1.0888	2.1480
C5	2.7093	2.4499	1.5311	1.3409		3.1781	3.1781	2.1840	2.1840	2.1480	1.0888
H6	2.4550	1.0980	3.4712	2.1840	3.1781		1.7882	4.3591	3.9754	2.6562	4.1496
H7	2.4550	1.0980	3.4712	2.1840	3.1781	1.7882		3.9754	4.3591	2.6562	4.1496
H8	2.4550	3.4712	1.0980	3.1781	2.1840	4.3591	3.9754		1.7882	4.1496	2.6562
H9	2.4550	3.4712	1.0980	3.1781	2.1840	3.9754	4.3591	1.7882		4.1496	2.6562
H10	3.7528	2.2701	3.4824	1.0888	2.1480	2.6562	2.6562	4.1496	4.1496		2.5566
H11	3.7528	3.4824	2.2701	2.1480	1.0888	4.1496	4.1496	2.6562	2.6562	2.5566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.803	S1	C2	H6	109.698
S1	C2	H7	109.698	S1	C3	C5	105.803
S1	C3	H8	109.698	S1	C3	H9	109.698
C2	S1	C3	94.538	C2	C4	C5	116.928
C2	C4	H10	119.138	C3	C5	C4	116.928
C3	C5	H11	119.138	C4	C2	H6	111.274
C4	C2	H7	111.274	C4	C5	H11	123.934
C5	C3	H8	111.274	C5	C3	H9	111.274
C5	C4	H10	123.934	H6	C2	H7	109.044
H8	C3	H9	109.044

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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