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	hartrees
Energy at 0K	-554.192400
Energy at 298.15K	-554.199043
Nuclear repulsion energy	213.704779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	3092	21.56
2	A₁	2952	2943	0.16
3	A₁	1643	1638	7.91
4	A₁	1447	1443	6.27
5	A₁	1242	1239	0.53
6	A₁	1117	1114	0.44
7	A₁	924	921	0.12
8	A₁	666	664	2.26
9	A₁	491	490	0.05
10	A₂	2974	2965	0.00
11	A₂	1111	1108	0.00
12	A₂	937	934	0.00
13	A₂	921	918	0.00
14	A₂	374	373	0.00
15	B₁	2976	2967	23.66
16	B₁	1098	1094	10.64
17	B₁	870	867	0.29
18	B₁	660	658	41.93
19	B₁	107	107	3.33
20	B₂	3079	3070	5.50
21	B₂	2952	2944	76.28
22	B₂	1445	1440	0.01
23	B₂	1331	1327	2.83
24	B₂	1205	1201	5.16
25	B₂	937	934	9.42
26	B₂	797	795	0.46
27	B₂	592	590	0.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.267
C2	0.000	1.363	-0.010
C3	0.000	-1.363	-0.010
C4	0.000	0.667	-1.346
C5	0.000	-0.667	-1.346
H6	-0.887	1.996	0.128
H7	0.887	1.996	0.128
H8	0.887	-1.996	0.128
H9	-0.887	-1.996	0.128
H10	0.000	1.261	-2.259
H11	0.000	-1.261	-2.259

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8683	1.8683	2.6969	2.6969	2.4636	2.4636	2.4636	2.4636	3.7453	3.7453
C2	1.8683		2.7269	1.5062	2.4308	1.0981	1.0981	3.4773	3.4773	2.2516	3.4565
C3	1.8683	2.7269		2.4308	1.5062	3.4773	3.4773	1.0981	1.0981	3.4565	2.2516
C4	2.6969	1.5062	2.4308		1.3349	2.1732	2.1732	3.1704	3.1704	1.0895	2.1340
C5	2.6969	2.4308	1.5062	1.3349		3.1704	3.1704	2.1732	2.1732	2.1340	1.0895
H6	2.4636	1.0981	3.4773	2.1732	3.1704		1.7742	4.3684	3.9918	2.6503	4.1343
H7	2.4636	1.0981	3.4773	2.1732	3.1704	1.7742		3.9918	4.3684	2.6503	4.1343
H8	2.4636	3.4773	1.0981	3.1704	2.1732	4.3684	3.9918		1.7742	4.1343	2.6503
H9	2.4636	3.4773	1.0981	3.1704	2.1732	3.9918	4.3684	1.7742		4.1343	2.6503
H10	3.7453	2.2516	3.4565	1.0895	2.1340	2.6503	2.6503	4.1343	4.1343		2.5222
H11	3.7453	3.4565	2.2516	2.1340	1.0895	4.1343	4.1343	2.6503	2.6503	2.5222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.609	S1	C2	H6	109.550
S1	C2	H7	109.550	S1	C3	C5	105.609
S1	C3	H8	109.550	S1	C3	H9	109.550
C2	S1	C3	93.739	C2	C4	C5	117.522
C2	C4	H10	119.463	C3	C5	C4	117.522
C3	C5	H11	119.463	C4	C2	H6	112.165
C4	C2	H7	112.165	C4	C5	H11	123.016
C5	C3	H8	112.165	C5	C3	H9	112.165
C5	C4	H10	123.016	H6	C2	H7	107.770
H8	C3	H9	107.770

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

using model chemistry: BLYP/cc-pVTZ

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	-0.115
2	C	-0.122
3	C	-0.122
4	C	-0.119
5	C	-0.119
6	H	0.097
7	H	0.097
8	H	0.097
9	H	0.097
10	H	0.103
11	H	0.103

<r²>	131.178
(<r²>)^1/2	11.453

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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