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	hartrees
Energy at 0K	-552.818735
Energy at 298.15K	-552.825513
HF Energy	-552.359027
Nuclear repulsion energy	210.135788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3187	3058	21.57
2	A₁	3070	2946	0.00
3	A₁	1711	1642	3.62
4	A₁	1546	1483	6.69
5	A₁	1322	1269	0.11
6	A₁	1191	1143	0.54
7	A₁	961	922	0.30
8	A₁	676	649	2.08
9	A₁	503	483	0.01
10	A₂	3119	2993	0.00
11	A₂	1170	1123	0.00
12	A₂	994	953	0.00
13	A₂	951	913	0.00
14	A₂	384	368	0.00
15	B₁	3121	2994	24.54
16	B₁	1161	1114	10.80
17	B₁	936	898	0.24
18	B₁	700	671	50.22
19	B₁	109	105	5.13
20	B₂	3159	3031	4.88
21	B₂	3069	2945	50.80
22	B₂	1544	1481	0.10
23	B₂	1408	1351	5.99
24	B₂	1297	1244	8.30
25	B₂	999	959	4.27
26	B₂	827	793	0.99
27	B₂	605	581	0.43

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.302
C2	0.000	1.391	-0.027
C3	0.000	-1.391	-0.027
C4	0.000	0.675	-1.367
C5	0.000	-0.675	-1.367
H6	-0.896	2.012	0.115
H7	0.896	2.012	0.115
H8	0.896	-2.012	0.115
H9	-0.896	-2.012	0.115
H10	0.000	1.273	-2.282
H11	0.000	-1.273	-2.282

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.9241	1.9241	2.7532	2.7532	2.5016	2.5016	2.5016	2.5016	3.8033	3.8033
C2	1.9241		2.7829	1.5200	2.4627	1.0991	1.0991	3.5220	3.5220	2.2580	3.4907
C3	1.9241	2.7829		2.4627	1.5200	3.5220	3.5220	1.0991	1.0991	3.4907	2.2580
C4	2.7532	1.5200	2.4627		1.3492	2.1884	2.1884	3.1965	3.1965	1.0931	2.1518
C5	2.7532	2.4627	1.5200	1.3492		3.1965	3.1965	2.1884	2.1884	2.1518	1.0931
H6	2.5016	1.0991	3.5220	2.1884	3.1965		1.7924	4.4046	4.0234	2.6637	4.1641
H7	2.5016	1.0991	3.5220	2.1884	3.1965	1.7924		4.0234	4.4046	2.6637	4.1641
H8	2.5016	3.5220	1.0991	3.1965	2.1884	4.4046	4.0234		1.7924	4.1641	2.6637
H9	2.5016	3.5220	1.0991	3.1965	2.1884	4.0234	4.4046	1.7924		4.1641	2.6637
H10	3.8033	2.2580	3.4907	1.0931	2.1518	2.6637	2.6637	4.1641	4.1641		2.5464
H11	3.8033	3.4907	2.2580	2.1518	1.0931	4.1641	4.1641	2.6637	2.6637	2.5464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.544	S1	C2	H6	108.583
S1	C2	H7	108.583	S1	C3	C5	105.544
S1	C3	H8	108.583	S1	C3	H9	108.583
C2	S1	C3	92.633	C2	C4	C5	118.139
C2	C4	H10	118.656	C3	C5	C4	118.139
C3	C5	H11	118.656	C4	C2	H6	112.350
C4	C2	H7	112.350	C4	C5	H11	123.205
C5	C3	H8	112.350	C5	C3	H9	112.350
C5	C4	H10	123.205	H6	C2	H7	109.246
H8	C3	H9	109.246

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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