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	hartrees
Energy at 0K	-554.208621
Energy at 298.15K	-554.215520
Nuclear repulsion energy	217.798553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3237	3103	10.51
2	A	3207	3074	2.81
3	A	3154	3023	13.47
4	A	3094	2966	41.22
5	A	3075	2948	14.83
6	A	3015	2890	43.99
7	A	1662	1594	13.94
8	A	1496	1434	1.82
9	A	1478	1417	3.51
10	A	1351	1295	0.71
11	A	1335	1280	4.58
12	A	1289	1236	19.66
13	A	1212	1161	2.75
14	A	1159	1111	0.39
15	A	1123	1076	1.50
16	A	1029	986	6.36
17	A	1007	966	4.72
18	A	937	898	3.26
19	A	915	877	0.99
20	A	867	832	2.46
21	A	799	766	27.05
22	A	695	666	14.45
23	A	681	653	30.44
24	A	652	625	24.82
25	A	496	476	0.85
26	A	409	392	2.67
27	A	178	171	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.070	-1.249	0.224
H2	-0.067	-1.467	1.293
H3	0.137	-2.164	-0.327
C4	-1.373	-0.570	-0.187
H5	-2.217	-0.988	0.368
H6	-1.578	-0.736	-1.253
C7	0.105	1.271	0.086
H8	0.477	2.282	0.178
C9	-1.171	0.897	0.063
H10	-1.995	1.595	0.133
S11	1.268	-0.038	-0.094

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0910	1.0880	1.5259	2.1677	2.1724	2.5292	3.5732	2.4167	3.4357	1.8319
H2	1.0910		1.7751	2.1678	2.3886	3.0493	2.9971	3.9493	2.8839	3.8000	2.3977
H3	1.0880	1.7751		2.1998	2.7212	2.4161	3.4595	4.4875	3.3509	4.3461	2.4191
C4	1.5259	2.1678	2.1998		1.0924	1.0980	2.3767	3.4194	1.5019	2.2759	2.6962
H5	2.1677	2.3886	2.7212	1.0924		1.7604	3.2511	4.2406	2.1767	2.6032	3.6414
H6	2.1724	3.0493	2.4161	1.0980	1.7604		2.9409	3.9211	2.1359	2.7439	3.1510
C7	2.5292	2.9971	3.4595	2.3767	3.2511	2.9409		1.0816	1.3294	2.1253	1.7608
H8	3.5732	3.9493	4.4875	3.4194	4.2406	3.9211	1.0816		2.1556	2.5658	2.4670
C9	2.4167	2.8839	3.3509	1.5019	2.1767	2.1359	1.3294	2.1556		1.0829	2.6168
H10	3.4357	3.8000	4.3461	2.2759	2.6032	2.7439	2.1253	2.5658	1.0829		3.6566
S11	1.8319	2.3977	2.4191	2.6962	3.6414	3.1510	1.7608	2.4670	2.6168	3.6566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.674	C1	C4	H6	110.715
C1	C4	C9	105.909	C1	S11	C7	89.473
H2	C1	H3	109.103	H2	C1	C4	110.770
H2	C1	S11	107.515	H3	C1	C4	113.555
H3	C1	S11	109.219	C4	C1	S11	106.472
C4	C9	C7	114.025	C4	C9	H10	122.568
H5	C4	H6	106.964	H5	C4	C9	113.129
H6	C4	C9	109.494	C7	C9	H10	123.210
H8	C7	C9	126.478	H8	C7	S11	118.478
C9	C7	S11	115.025

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

using model chemistry: B1B95/6-311G*

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	-0.603
2	H	0.260
3	H	0.256
4	C	-0.447
5	H	0.233
6	H	0.237
7	C	-0.348
8	H	0.240
9	C	-0.189
10	H	0.209
11	S	0.153

	x	y	z	Total
	-1.638	-0.357	0.234	1.693
CHELPG
AIM
ESP

	x	y	z
x	10.750	0.131	-0.180
y	0.131	8.944	0.100
z	-0.180	0.100	5.609

<r²>	126.482
(<r²>)^1/2	11.246

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

using model chemistry: B1B95/6-311G*

States and conformations

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