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	hartrees
Energy at 0K	-547.775947
Energy at 298.15K	-547.782459
Nuclear repulsion energy	211.532100

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3364	3112	0.62
2	A₁	3165	2928	0.05
3	A₁	1763	1631	2.35
4	A₁	1628	1506	2.90
5	A₁	1364	1262	0.03
6	A₁	1172	1085	0.70
7	A₁	982	908	0.22
8	A₁	784	725	0.02
9	A₁	536	496	0.62
10	A₂	3248	3005	0.00
11	A₂	1204	1114	0.00
12	A₂	987	913	0.00
13	A₂	969	896	0.00
14	A₂	376	348	0.00
15	B₁	3251	3008	14.20
16	B₁	1189	1100	0.85
17	B₁	946	875	0.14
18	B₁	693	641	21.43
19	B₁	107	99	1.19
20	B₂	3334	3084	6.96
21	B₂	3163	2927	20.24
22	B₂	1625	1504	2.82
23	B₂	1412	1307	1.24
24	B₂	1313	1215	0.62
25	B₂	1012	936	3.31
26	B₂	861	797	0.02
27	B₂	698	646	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.280
C2	0.000	1.359	0.009
C3	0.000	-1.359	0.009
C4	0.000	0.675	-1.375
C5	0.000	-0.675	-1.375
H6	-0.895	2.018	0.125
H7	0.895	2.018	0.125
H8	0.895	-2.018	0.125
H9	-0.895	-2.018	0.125
H10	0.000	1.294	-2.293
H11	0.000	-1.294	-2.293

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8614	1.8614	2.7399	2.7399	2.4915	2.4915	2.4915	2.4915	3.8001	3.8001
C2	1.8614		2.7187	1.5437	2.4605	1.1175	1.1175	3.4959	3.4959	2.3022	3.5125
C3	1.8614	2.7187		2.4605	1.5437	3.4959	3.4959	1.1175	1.1175	3.5125	2.3022
C4	2.7399	1.5437	2.4605		1.3504	2.2036	2.2036	3.2103	3.2103	1.1068	2.1726
C5	2.7399	2.4605	1.5437	1.3504		3.2103	3.2103	2.2036	2.2036	2.1726	1.1068
H6	2.4915	1.1175	3.4959	2.2036	3.2103		1.7903	4.4153	4.0360	2.6780	4.1975
H7	2.4915	1.1175	3.4959	2.2036	3.2103	1.7903		4.0360	4.4153	2.6780	4.1975
H8	2.4915	3.4959	1.1175	3.2103	2.2036	4.4153	4.0360		1.7903	4.1975	2.6780
H9	2.4915	3.4959	1.1175	3.2103	2.2036	4.0360	4.4153	1.7903		4.1975	2.6780
H10	3.8001	2.3022	3.5125	1.1068	2.1726	2.6780	2.6780	4.1975	4.1975		2.5885
H11	3.8001	3.5125	2.3022	2.1726	1.1068	4.1975	4.1975	2.6780	2.6780	2.5885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	106.782	S1	C2	H6	111.047
S1	C2	H7	111.047	S1	C3	C5	106.782
S1	C3	H8	111.047	S1	C3	H9	111.047
C2	S1	C3	93.820	C2	C4	C5	116.308
C2	C4	H10	119.683	C3	C5	C4	116.308
C3	C5	H11	119.683	C4	C2	H6	110.782
C4	C2	H7	110.782	C4	C5	H11	124.009
C5	C3	H8	110.782	C5	C3	H9	110.782
C5	C4	H10	124.009	H6	C2	H7	106.460
H8	C3	H9	106.460

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

using model chemistry: BLYP/STO-3G

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	0.142
2	C	-0.213
3	C	-0.213
4	C	-0.083
5	C	-0.083
6	H	0.075
7	H	0.075
8	H	0.075
9	H	0.075
10	H	0.076
11	H	0.076

<r²>	131.148
(<r²>)^1/2	11.452

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

using model chemistry: BLYP/STO-3G

States and conformations

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