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	hartrees
Energy at 0K	-36.274349
Energy at 298.15K	-36.281139
Nuclear repulsion energy	85.148259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	3130	12.48
2	A	3156	3076	7.53
3	A	3128	3049	22.38
4	A	3050	2972	58.02
5	A	3030	2952	13.23
6	A	2970	2894	57.75
7	A	1614	1573	15.57
8	A	1510	1472	2.43
9	A	1492	1454	2.74
10	A	1339	1305	1.59
11	A	1319	1285	5.62
12	A	1279	1246	23.13
13	A	1209	1178	1.85
14	A	1144	1115	0.87
15	A	1124	1095	0.47
16	A	1023	997	5.49
17	A	1004	978	4.03
18	A	921	898	1.50
19	A	903	880	4.70
20	A	853	831	1.76
21	A	766	746	19.92
22	A	691	673	69.61
23	A	661	644	14.98
24	A	613	598	3.19
25	A	485	473	0.48
26	A	396	386	2.05
27	A	138	134	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	-1.091	-0.732	0.166
H2	-1.331	-0.917	1.218
H3	-1.797	-1.263	-0.477
C4	-0.999	0.792	-0.144
H5	-1.688	1.354	0.501
H6	-1.299	0.991	-1.187
C7	1.370	0.228	0.048
H8	2.449	0.321	0.122
C9	0.456	1.224	0.060
H10	0.728	2.274	0.149
S11	0.666	-1.468	-0.141

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0946	1.0925	1.5582	2.1957	2.2005	2.6443	3.6928	2.4956	3.5131	1.9291
H2	1.0946		1.7912	2.2112	2.4087	3.0701	3.1585	4.1252	3.0195	3.9450	2.4772
H3	1.0925	1.7912		2.2295	2.7961	2.4147	3.5393	4.5702	3.3978	4.3902	2.4933
C4	1.5582	2.2112	2.2295		1.0990	1.1029	2.4434	3.4898	1.5310	2.2942	2.8070
H5	2.1957	2.4087	2.7961	1.0990		1.7701	3.2909	4.2808	2.1928	2.6090	3.7307
H6	2.2005	3.0701	2.4147	1.1029	1.7701		3.0390	4.0260	2.1654	2.7463	3.3165
C7	2.6443	3.1585	3.5393	2.4434	3.2909	3.0390		1.0846	1.3526	2.1471	1.8459
H8	3.6928	4.1252	4.5702	3.4898	4.2808	4.0260	1.0846		2.1888	2.6030	2.5392
C9	2.4956	3.0195	3.3978	1.5310	2.1928	2.1654	1.3526	2.1888		1.0883	2.7074
H10	3.5131	3.9450	4.3902	2.2942	2.6090	2.7463	2.1471	2.6030	1.0883		3.7535
S11	1.9291	2.4772	2.4933	2.8070	3.7307	3.3165	1.8459	2.5392	2.7074	3.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.248	C1	C4	H6	110.392
C1	C4	C9	107.765	C1	S11	C7	88.904
H2	C1	H3	109.972	H2	C1	C4	111.731
H2	C1	S11	106.748	H3	C1	C4	113.341
H3	C1	S11	107.988	C4	C1	S11	106.722
C4	C9	C7	115.706	C4	C9	H10	121.372
H5	C4	H6	107.009	H5	C4	C9	111.923
H6	C4	C9	109.520	C7	C9	H10	122.829
H8	C7	C9	127.469	H8	C7	S11	117.739
C9	C7	S11	114.786

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

using model chemistry: B3LYP/CEP-121G

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	-0.551
2	H	0.193
3	H	0.183
4	C	-0.299
5	H	0.149
6	H	0.155
7	C	-0.445
8	H	0.176
9	C	0.043
10	H	0.164
11	S	0.234

	x	y	z	Total
	-1.230	1.611	0.263	2.044
CHELPG
AIM
ESP

	x	y	z
x	10.044	-0.837	-0.050
y	-0.837	10.694	0.292
z	-0.050	0.292	5.904

<r²>	97.209
(<r²>)^1/2	9.859

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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