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	hartrees
Energy at 0K	-554.213069
Energy at 298.15K	-554.219900
Nuclear repulsion energy	215.691752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3242	3115	7.92
2	A	3209	3083	2.86
3	A	3148	3025	11.11
4	A	3084	2963	41.07
5	A	3069	2949	8.14
6	A	3008	2890	40.81
7	A	1661	1596	12.10
8	A	1505	1446	0.87
9	A	1488	1429	1.10
10	A	1350	1297	0.36
11	A	1331	1279	4.05
12	A	1286	1236	15.09
13	A	1211	1164	1.78
14	A	1151	1106	0.57
15	A	1128	1084	0.96
16	A	1022	982	4.87
17	A	999	959	2.59
18	A	922	886	1.20
19	A	917	881	2.37
20	A	858	825	1.66
21	A	788	758	20.03
22	A	695	668	21.70
23	A	676	649	26.02
24	A	648	623	6.39
25	A	503	483	0.45
26	A	407	391	2.51
27	A	148	142	1.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.078	-1.275	0.187
H2	-0.054	-1.571	1.239
H3	0.111	-2.154	-0.431
C4	-1.402	-0.561	-0.158
H5	-2.219	-0.954	0.458
H6	-1.680	-0.744	-1.207
C7	0.114	1.285	0.073
H8	0.493	2.297	0.151
C9	-1.170	0.917	0.056
H10	-1.990	1.624	0.116
S11	1.285	-0.043	-0.080

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0934	1.0909	1.5427	2.1814	2.1889	2.5703	3.6181	2.4522	3.4734	1.8568
H2	1.0934		1.7768	2.1880	2.3826	3.0515	3.0901	4.0559	2.9725	3.9011	2.4226
H3	1.0909	1.7768		2.2133	2.7671	2.4078	3.4761	4.5054	3.3624	4.3571	2.4411
C4	1.5427	2.1880	2.2133		1.0960	1.1006	2.4002	3.4432	1.5113	2.2794	2.7371
H5	2.1814	2.3826	2.7671	1.0960		1.7622	3.2567	4.2450	2.1825	2.6106	3.6598
H6	2.1889	3.0515	2.4078	1.1006	1.7622		2.9960	3.9768	2.1476	2.7297	3.2486
C7	2.5703	3.0901	3.4761	2.4002	3.2567	2.9960		1.0833	1.3357	2.1317	1.7770
H8	3.6181	4.0559	4.5054	3.4432	4.2450	3.9768	1.0833		2.1630	2.5730	2.4811
C9	2.4522	2.9725	3.3624	1.5113	2.1825	2.1476	1.3357	2.1630		1.0848	2.6387
H10	3.4734	3.9011	4.3571	2.2794	2.6106	2.7297	2.1317	2.5730	1.0848		3.6797
S11	1.8568	2.4226	2.4411	2.7371	3.6598	3.2486	1.7770	2.4811	2.6387	3.6797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.372	C1	C4	H6	110.694
C1	C4	C9	106.819	C1	S11	C7	90.010
H2	C1	H3	108.870	H2	C1	C4	111.054
H2	C1	S11	107.569	H3	C1	C4	113.250
H3	C1	S11	109.031	C4	C1	S11	106.883
C4	C9	C7	114.793	C4	C9	H10	121.947
H5	C4	H6	106.687	H5	C4	C9	112.693
H6	C4	C9	109.618	C7	C9	H10	123.116
H8	C7	C9	126.500	H8	C7	S11	118.293
C9	C7	S11	115.196

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

using model chemistry: B3LYP/6-31G**

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	-0.346
2	H	0.144
3	H	0.137
4	C	-0.209
5	H	0.113
6	H	0.120
7	C	-0.243
8	H	0.125
9	C	-0.053
10	H	0.094
11	S	0.117

	x	y	z	Total
	-1.670	-0.349	0.206	1.719
CHELPG
AIM
ESP

	x	y	z
x	10.202	0.156	-0.101
y	0.156	8.618	0.118
z	-0.101	0.118	5.355

<r²>	128.623
(<r²>)^1/2	11.341

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

using model chemistry: B3LYP/6-31G**

States and conformations

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