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	hartrees
Energy at 0K	-549.467404
Energy at 298.15K	-549.474189
Nuclear repulsion energy	214.118811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3151	1.35
2	A	3151	3099	0.90
3	A	3121	3070	1.82
4	A	3045	2995	13.43
5	A	3030	2980	1.65
6	A	2954	2906	17.19
7	A	1637	1610	11.38
8	A	1463	1439	5.66
9	A	1451	1427	9.83
10	A	1310	1289	7.17
11	A	1301	1280	1.25
12	A	1267	1246	19.98
13	A	1185	1165	3.55
14	A	1144	1125	0.49
15	A	1112	1093	0.95
16	A	1020	1004	5.10
17	A	977	961	2.04
18	A	921	906	4.82
19	A	915	900	4.11
20	A	848	835	4.20
21	A	763	750	23.28
22	A	680	669	62.55
23	A	654	643	21.76
24	A	619	609	4.13
25	A	487	479	0.75
26	A	403	396	4.00
27	A	162	159	1.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.108	-1.277	0.228
H2	-0.100	-1.481	1.311
H3	0.100	-2.192	-0.345
C4	-1.390	-0.564	-0.193
H5	-2.254	-0.970	0.364
H6	-1.579	-0.719	-1.277
C7	0.094	1.298	0.087
H8	0.469	2.317	0.181
C9	-1.179	0.905	0.062
H10	-2.020	1.600	0.132
S11	1.305	-0.046	-0.092

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.1018	1.0990	1.5264	2.1719	2.1769	2.5872	3.6404	2.4369	3.4560	1.9017
H2	1.1018		1.8126	2.1835	2.4079	3.0762	3.0431	4.0035	2.9019	3.8174	2.4501
H3	1.0990	1.8126		2.2120	2.7445	2.4195	3.5168	4.5543	3.3754	4.3701	2.4746
C4	1.5264	2.1835	2.2120		1.1050	1.1110	2.3971	3.4485	1.5056	2.2768	2.7466
H5	2.1719	2.4079	2.7445	1.1050		1.7913	3.2761	4.2721	2.1823	2.5913	3.7054
H6	2.1769	3.0762	2.4195	1.1110	1.7913		2.9542	3.9413	2.1424	2.7489	3.1901
C7	2.5872	3.0431	3.5168	2.3971	3.2761	2.9542		1.0895	1.3325	2.1354	1.8186
H8	3.6404	4.0035	4.5543	3.4485	4.2721	3.9413	1.0895		2.1733	2.5903	2.5213
C9	2.4369	2.9019	3.3754	1.5056	2.1823	2.1424	1.3325	2.1733		1.0927	2.6651
H10	3.4560	3.8174	4.3701	2.2768	2.5913	2.7489	2.1354	2.5903	1.0927		3.7172
S11	1.9017	2.4501	2.4746	2.7466	3.7054	3.1901	1.8186	2.5213	2.6651	3.7172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.223	C1	C4	H6	110.265
C1	C4	C9	106.975	C1	S11	C7	88.091
H2	C1	H3	110.893	H2	C1	C4	111.334
H2	C1	S11	106.247	H3	C1	C4	113.825
H3	C1	S11	108.109	C4	C1	S11	105.972
C4	C9	C7	115.124	C4	C9	H10	121.574
H5	C4	H6	107.867	H5	C4	C9	112.523
H6	C4	C9	108.988	C7	C9	H10	123.095
H8	C7	C9	127.323	H8	C7	S11	118.034
C9	C7	S11	114.629

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

using model chemistry: LSDA/3-21G

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	-0.665
2	H	0.265
3	H	0.258
4	C	-0.480
5	H	0.237
6	H	0.246
7	C	-0.532
8	H	0.243
9	C	-0.134
10	H	0.217
11	S	0.345

	x	y	z	Total
	-1.943	-0.386	0.235	1.995
CHELPG
AIM
ESP

	x	y	z
x	9.734	0.134	-0.171
y	0.134	8.228	0.160
z	-0.171	0.160	4.630

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G

States and conformations

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