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	hartrees
Energy at 0K	-554.112025
Energy at 298.15K	-554.118694
Nuclear repulsion energy	214.284051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3149	3132	9.13
2	A	3115	3098	3.09
3	A	3057	3040	11.41
4	A	2995	2978	36.79
5	A	2973	2957	12.30
6	A	2913	2897	41.94
7	A	1583	1575	12.71
8	A	1449	1441	0.82
9	A	1435	1427	0.52
10	A	1294	1287	0.52
11	A	1280	1273	4.69
12	A	1237	1230	13.88
13	A	1163	1156	1.68
14	A	1106	1100	0.73
15	A	1090	1084	0.60
16	A	983	978	3.96
17	A	961	956	2.57
18	A	885	880	1.72
19	A	880	875	1.23
20	A	823	818	1.57
21	A	756	752	17.73
22	A	668	665	23.77
23	A	652	648	20.80
24	A	619	615	2.86
25	A	484	481	0.35
26	A	395	392	2.07
27	A	135	134	0.98

Atom	x (Å)	y (Å)	z (Å)
C1	-0.091	-1.288	0.176
H2	-0.056	-1.607	1.228
H3	0.095	-2.158	-0.465
C4	-1.420	-0.552	-0.149
H5	-2.235	-0.935	0.487
H6	-1.725	-0.742	-1.197
C7	0.127	1.291	0.069
H8	0.524	2.302	0.140
C9	-1.168	0.932	0.054
H10	-1.988	1.649	0.112
S11	1.294	-0.050	-0.075

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0995	1.0968	1.5538	2.1952	2.2036	2.5904	3.6427	2.4711	3.4973	1.8744
H2	1.0995		1.7874	2.2068	2.3977	3.0686	3.1262	4.0988	3.0103	3.9470	2.4381
H3	1.0968	1.7874		2.2299	2.7982	2.4193	3.4903	4.5214	3.3787	4.3778	2.4565
C4	1.5538	2.2068	2.2299		1.1028	1.1076	2.4157	3.4653	1.5194	2.2883	2.7605
H5	2.1952	2.3977	2.7982	1.1028		1.7703	3.2720	4.2675	2.1938	2.6227	3.6811
H6	2.2036	3.0686	2.4193	1.1076	1.7703		3.0268	4.0134	2.1629	2.7383	3.2937
C7	2.5904	3.1262	3.4903	2.4157	3.2720	3.0268		1.0888	1.3434	2.1452	1.7834
H8	3.6427	4.0988	4.5214	3.4653	4.2675	4.0134	1.0888		2.1786	2.5958	2.4840
C9	2.4711	3.0103	3.3787	1.5194	2.1938	2.1629	1.3434	2.1786		1.0906	2.6536
H10	3.4973	3.9470	4.3778	2.2883	2.6227	2.7383	2.1452	2.5958	1.0906		3.7001
S11	1.8744	2.4381	2.4565	2.7605	3.6811	3.2937	1.7834	2.4840	2.6536	3.7001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.294	C1	C4	H6	110.670
C1	C4	C9	107.039	C1	S11	C7	90.143
H2	C1	H3	108.941	H2	C1	C4	111.405
H2	C1	S11	107.246	H3	C1	C4	113.429
H3	C1	S11	108.694	C4	C1	S11	106.895
C4	C9	C7	114.949	C4	C9	H10	121.637
H5	C4	H6	106.432	H5	C4	C9	112.601
H6	C4	C9	109.847	C7	C9	H10	123.280
H8	C7	C9	126.892	H8	C7	S11	117.684
C9	C7	S11	115.412

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.168
2	H	0.119
3	H	0.114
4	C	-0.204
5	H	0.096
6	H	0.101
7	C	-0.038
8	H	0.100
9	C	-0.055
10	H	0.078
11	S	-0.143

	x	y	z	Total
	-1.592	-0.364	0.186	1.644
CHELPG
AIM
ESP

	x	y	z
x	10.796	0.040	-0.082
y	0.040	9.182	0.109
z	-0.082	0.109	5.949

<r²>	130.146
(<r²>)^1/2	11.408

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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