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	hartrees
Energy at 0K	-545.968059
Energy at 298.15K	-545.974697
Nuclear repulsion energy	215.163190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3459	3098	1.34
2	A₁	3259	2918	1.08
3	A₁	1829	1638	1.14
4	A₁	1630	1460	4.99
5	A₁	1386	1241	3.89
6	A₁	1175	1052	0.30
7	A₁	1036	928	0.00
8	A₁	834	747	0.07
9	A₁	557	499	0.65
10	A₂	3343	2994	0.00
11	A₂	1218	1090	0.00
12	A₂	1015	909	0.00
13	A₂	996	892	0.00
14	A₂	388	348	0.00
15	B₁	3346	2996	1.45
16	B₁	1197	1072	0.73
17	B₁	961	861	0.01
18	B₁	707	633	30.84
19	B₁	108	97	2.11
20	B₂	3429	3071	17.93
21	B₂	3257	2917	4.80
22	B₂	1627	1457	0.06
23	B₂	1431	1282	1.91
24	B₂	1330	1191	0.45
25	B₂	1058	947	6.80
26	B₂	896	803	0.19
27	B₂	733	657	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.254
C2	0.000	1.335	0.010
C3	0.000	-1.335	0.010
C4	0.000	0.668	-1.347
C5	0.000	-0.668	-1.347
H6	-0.888	1.990	0.125
H7	0.888	1.990	0.125
H8	0.888	-1.990	0.125
H9	-0.888	-1.990	0.125
H10	0.000	1.283	-2.259
H11	0.000	-1.283	-2.259

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8243	1.8243	2.6853	2.6853	2.4539	2.4539	2.4539	2.4539	3.7392	3.7392
C2	1.8243		2.6701	1.5126	2.4201	1.1094	1.1094	3.4437	3.4437	2.2696	3.4644
C3	1.8243	2.6701		2.4201	1.5126	3.4437	3.4437	1.1094	1.1094	3.4644	2.2696
C4	2.6853	1.5126	2.4201		1.3366	2.1690	2.1690	3.1662	3.1662	1.0992	2.1536
C5	2.6853	2.4201	1.5126	1.3366		3.1662	3.1662	2.1690	2.1690	2.1536	1.0992
H6	2.4539	1.1094	3.4437	2.1690	3.1662		1.7759	4.3585	3.9803	2.6405	4.1456
H7	2.4539	1.1094	3.4437	2.1690	3.1662	1.7759		3.9803	4.3585	2.6405	4.1456
H8	2.4539	3.4437	1.1094	3.1662	2.1690	4.3585	3.9803		1.7759	4.1456	2.6405
H9	2.4539	3.4437	1.1094	3.1662	2.1690	3.9803	4.3585	1.7759		4.1456	2.6405
H10	3.7392	2.2696	3.4644	1.0992	2.1536	2.6405	2.6405	4.1456	4.1456		2.5660
H11	3.7392	3.4644	2.2696	2.1536	1.0992	4.1456	4.1456	2.6405	2.6405	2.5660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	106.803	S1	C2	H6	111.190
S1	C2	H7	111.190	S1	C3	C5	106.803
S1	C3	H8	111.190	S1	C3	H9	111.190
C2	S1	C3	94.082	C2	C4	C5	116.156
C2	C4	H10	119.844	C3	C5	C4	116.156
C3	C5	H11	119.844	C4	C2	H6	110.696
C4	C2	H7	110.696	C4	C5	H11	124.000
C5	C3	H8	110.696	C5	C3	H9	110.696
C5	C4	H10	124.000	H6	C2	H7	106.327
H8	C3	H9	106.327

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

using model chemistry: LSDA/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	0.127
2	C	-0.258
3	C	-0.258
4	C	-0.107
5	C	-0.107
6	H	0.101
7	H	0.101
8	H	0.101
9	H	0.101
10	H	0.099
11	H	0.099

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/STO-3G

States and conformations

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