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	hartrees
Energy at 0K	-551.284023
Energy at 298.15K	-551.290614
Nuclear repulsion energy	209.353936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3121	3104	15.75
2	A₁	2998	2982	0.03
3	A₁	1647	1638	3.63
4	A₁	1487	1479	9.52
5	A₁	1248	1241	0.55
6	A₁	1152	1145	0.36
7	A₁	907	902	0.59
8	A₁	635	632	3.83
9	A₁	484	481	0.21
10	A₂	3040	3023	0.00
11	A₂	1140	1134	0.00
12	A₂	937	932	0.00
13	A₂	905	900	0.00
14	A₂	362	360	0.00
15	B₁	3043	3026	21.36
16	B₁	1132	1126	7.57
17	B₁	846	841	0.03
18	B₁	666	662	55.51
19	B₁	118	117	5.14
20	B₂	3095	3078	2.87
21	B₂	2998	2982	45.78
22	B₂	1488	1480	0.04
23	B₂	1356	1349	4.74
24	B₂	1209	1203	5.63
25	B₂	936	930	8.83
26	B₂	803	799	0.81
27	B₂	556	553	1.12

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.315
C2	0.000	1.398	-0.037
C3	0.000	-1.398	-0.037
C4	0.000	0.671	-1.370
C5	0.000	-0.671	-1.370
H6	-0.900	2.015	0.106
H7	0.900	2.015	0.106
H8	0.900	-2.015	0.106
H9	-0.900	-2.015	0.106
H10	0.000	1.265	-2.287
H11	0.000	-1.265	-2.287

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.9452	1.9452	2.7674	2.7674	2.5165	2.5165	2.5165	2.5165	3.8178	3.8178
C2	1.9452		2.7965	1.5182	2.4610	1.1007	1.1007	3.5332	3.5332	2.2539	3.4863
C3	1.9452	2.7965		2.4610	1.5182	3.5332	3.5332	1.1007	1.1007	3.4863	2.2539
C4	2.7674	1.5182	2.4610		1.3416	2.1902	2.1902	3.1945	3.1945	1.0929	2.1420
C5	2.7674	2.4610	1.5182	1.3416		3.1945	3.1945	2.1902	2.1902	2.1420	1.0929
H6	2.5165	1.1007	3.5332	2.1902	3.1945		1.8002	4.4144	4.0307	2.6650	4.1592
H7	2.5165	1.1007	3.5332	2.1902	3.1945	1.8002		4.0307	4.4144	2.6650	4.1592
H8	2.5165	3.5332	1.1007	3.1945	2.1902	4.4144	4.0307		1.8002	4.1592	2.6650
H9	2.5165	3.5332	1.1007	3.1945	2.1902	4.0307	4.4144	1.8002		4.1592	2.6650
H10	3.8178	2.2539	3.4863	1.0929	2.1420	2.6650	2.6650	4.1592	4.1592		2.5297
H11	3.8178	3.4863	2.2539	2.1420	1.0929	4.1592	4.1592	2.6650	2.6650	2.5297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.413	S1	C2	H6	108.198
S1	C2	H7	108.198	S1	C3	C5	105.413
S1	C3	H8	108.198	S1	C3	H9	108.198
C2	S1	C3	91.916	C2	C4	C5	118.629
C2	C4	H10	118.445	C3	C5	C4	118.629
C3	C5	H11	118.445	C4	C2	H6	112.529
C4	C2	H7	112.529	C4	C5	H11	122.926
C5	C3	H8	112.529	C5	C3	H9	112.529
C5	C4	H10	122.926	H6	C2	H7	109.714
H8	C3	H9	109.714

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	S	0.200
2	C	-0.602
3	C	-0.602
4	C	-0.125
5	C	-0.125
6	H	0.224
7	H	0.224
8	H	0.224
9	H	0.224
10	H	0.180
11	H	0.180

<r²>	135.608
(<r²>)^1/2	11.645

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

using model chemistry: BLYP/3-21G

States and conformations

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