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	hartrees
Energy at 0K	-547.928237
Energy at 298.15K	-547.934866
Nuclear repulsion energy	213.685582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3481	3106	1.31
2	A	3451	3080	14.40
3	A	3435	3066	4.07
4	A	3408	3041	1.51
5	A	3329	2971	3.84
6	A	3313	2956	4.81
7	A	1792	1599	12.43
8	A	1684	1503	0.29
9	A	1666	1486	0.83
10	A	1472	1314	0.31
11	A	1427	1273	6.40
12	A	1371	1224	7.98
13	A	1353	1208	0.00
14	A	1246	1112	0.41
15	A	1201	1071	0.32
16	A	1105	986	3.85
17	A	1076	960	0.20
18	A	997	890	0.51
19	A	985	879	0.68
20	A	891	795	13.13
21	A	857	765	0.15
22	A	841	750	4.52
23	A	742	662	1.30
24	A	720	643	23.00
25	A	573	512	1.42
26	A	410	366	1.96
27	A	69	62	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.056	-1.301	0.000
H2	-0.045	-1.948	-0.888
H3	-0.044	-1.947	0.890
C4	1.449	-0.562	-0.000
H5	2.040	-0.854	-0.889
H6	2.041	-0.855	0.887
C7	-0.127	1.289	0.000
H8	-0.507	2.319	0.000
C9	1.170	0.949	0.000
H10	1.999	1.666	0.000
S11	-1.298	-0.039	-0.000

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.1037	1.1037	1.5764	2.2194	2.2193	2.5971	3.6632	2.5104	3.5463	1.8513
H2	1.1037		1.7776	2.2225	2.3544	2.9491	3.3584	4.3828	3.2646	4.2459	2.4503
H3	1.1037	1.7776		2.2224	2.9499	2.3542	3.3575	4.3817	3.2636	4.2447	2.4503
C4	1.5764	2.2225	2.2224		1.1065	1.1064	2.4319	3.4820	1.5366	2.2949	2.7966
H5	2.2194	2.3544	2.9499	1.1065		1.7760	3.1757	4.1648	2.1906	2.6726	3.5495
H6	2.2193	2.9491	2.3542	1.1064	1.7760		3.1764	4.1654	2.1907	2.6723	3.5505
C7	2.5971	3.3584	3.3575	2.4319	3.1757	3.1764		1.0967	1.3415	2.1598	1.7709
H8	3.6632	4.3828	4.3817	3.4820	4.1648	4.1654	1.0967		2.1652	2.5899	2.4870
C9	2.5104	3.2646	3.2636	1.5366	2.1906	2.1907	1.3415	2.1652		1.0962	2.6587
H10	3.5463	4.2459	4.2447	2.2949	2.6726	2.6723	2.1598	2.5899	1.0962		3.7122
S11	1.8513	2.4503	2.4503	2.7966	3.5495	3.5505	1.7709	2.4870	2.6587	3.7122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.407	C1	C4	H6	110.402
C1	C4	C9	107.491	C1	S11	C7	91.585
H2	C1	H3	107.277	H2	C1	C4	110.813
H2	C1	S11	109.414	H3	C1	C4	110.806
H3	C1	S11	109.418	C4	C1	S11	109.083
C4	C9	C7	115.169	C4	C9	H10	120.383
H5	C4	H6	106.751	H5	C4	C9	110.906
H6	C4	C9	110.916	C7	C9	H10	124.447
H8	C7	C9	124.951	H8	C7	S11	118.377
C9	C7	S11	116.672

All results from a given calculation for C₄H₆S (Thiophene, 2,3-dihydro-)

using model chemistry: B3LYP/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	C	-0.212
2	H	0.076
3	H	0.076
4	C	-0.138
5	H	0.076
6	H	0.076
7	C	-0.187
8	H	0.081
9	C	-0.104
10	H	0.072
11	S	0.185

	x	y	z	Total
	0.415	-0.411	0.000	0.584
CHELPG
AIM
ESP

	x	y	z
x	5.743	-0.025	0.000
y	-0.025	5.088	0.000
z	0.000	0.000	2.049

<r²>	129.530
(<r²>)^1/2	11.381

All results from a given calculation for C4H6S (Thiophene, 2,3-dihydro-)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for C₄H₆S (Thiophene, 2,3-dihydro-)