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	hartrees
Energy at 0K	-554.165426
Energy at 298.15K	-554.172156
Nuclear repulsion energy	216.243895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3083	16.51
2	A₁	3063	2930	0.27
3	A₁	1728	1653	10.90
4	A₁	1486	1421	7.62
5	A₁	1297	1241	0.42
6	A₁	1140	1090	0.23
7	A₁	977	934	0.09
8	A₁	725	694	2.79
9	A₁	515	492	0.05
10	A₂	3103	2968	0.00
11	A₂	1146	1096	0.00
12	A₂	975	933	0.00
13	A₂	948	907	0.00
14	A₂	373	357	0.00
15	B₁	3105	2970	11.64
16	B₁	1130	1081	12.97
17	B₁	906	867	1.19
18	B₁	682	652	54.70
19	B₁	78	75	5.36
20	B₂	3200	3061	3.45
21	B₂	3063	2930	63.43
22	B₂	1480	1416	0.21
23	B₂	1363	1304	1.89
24	B₂	1258	1204	7.98
25	B₂	985	943	9.19
26	B₂	820	784	0.57
27	B₂	649	621	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.245
C2	0.000	1.344	0.001
C3	0.000	-1.344	0.001
C4	0.000	0.665	-1.331
C5	0.000	-0.665	-1.331
H6	-0.884	1.975	0.134
H7	0.884	1.975	0.134
H8	0.884	-1.975	0.134
H9	-0.884	-1.975	0.134
H10	0.000	1.260	-2.240
H11	0.000	-1.260	-2.240

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8314	1.8314	2.6605	2.6605	2.4323	2.4323	2.4323	2.4323	3.7052	3.7052
C2	1.8314		2.6880	1.4950	2.4106	1.0942	1.0942	3.4373	3.4373	2.2418	3.4352
C3	1.8314	2.6880		2.4106	1.4950	3.4373	3.4373	1.0942	1.0942	3.4352	2.2418
C4	2.6605	1.4950	2.4106		1.3305	2.1548	2.1548	3.1462	3.1462	1.0858	2.1289
C5	2.6605	2.4106	1.4950	1.3305		3.1462	3.1462	2.1548	2.1548	2.1289	1.0858
H6	2.4323	1.0942	3.4373	2.1548	3.1462		1.7679	4.3276	3.9500	2.6316	4.1086
H7	2.4323	1.0942	3.4373	2.1548	3.1462	1.7679		3.9500	4.3276	2.6316	4.1086
H8	2.4323	3.4373	1.0942	3.1462	2.1548	4.3276	3.9500		1.7679	4.1086	2.6316
H9	2.4323	3.4373	1.0942	3.1462	2.1548	3.9500	4.3276	1.7679		4.1086	2.6316
H10	3.7052	2.2418	3.4352	1.0858	2.1289	2.6316	2.6316	4.1086	4.1086		2.5204
H11	3.7052	3.4352	2.2418	2.1289	1.0858	4.1086	4.1086	2.6316	2.6316	2.5204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.785	S1	C2	H6	109.914
S1	C2	H7	109.914	S1	C3	C5	105.785
S1	C3	H8	109.914	S1	C3	H9	109.914
C2	S1	C3	94.424	C2	C4	C5	117.003
C2	C4	H10	119.771	C3	C5	C4	117.003
C3	C5	H11	119.771	C4	C2	H6	111.728
C4	C2	H7	111.728	C4	C5	H11	123.226
C5	C3	H8	111.728	C5	C3	H9	111.728
C5	C4	H10	123.226	H6	C2	H7	107.772
H8	C3	H9	107.772

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

using model chemistry: B1B95/6-31+G**

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	0.005
2	C	-0.541
3	C	-0.541
4	C	-0.011
5	C	-0.011
6	H	0.197
7	H	0.197
8	H	0.197
9	H	0.197
10	H	0.156
11	H	0.156

<r²>	128.383
(<r²>)^1/2	11.331

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

using model chemistry: B1B95/6-31+G**

States and conformations

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