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	hartrees
Energy at 0K	-552.357108
Energy at 298.15K	-552.364215
Nuclear repulsion energy	214.076572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3447	3112	8.26
2	A	3379	3051	5.97
3	A	3345	3020	10.36
4	A	3277	2959	35.32
5	A	3232	2918	19.76
6	A	3186	2877	40.05
7	A	1828	1650	5.92
8	A	1653	1493	1.33
9	A	1637	1478	3.83
10	A	1488	1344	2.44
11	A	1465	1323	8.75
12	A	1420	1283	19.10
13	A	1348	1217	2.49
14	A	1277	1153	1.11
15	A	1249	1127	0.24
16	A	1135	1025	2.81
17	A	1099	992	4.31
18	A	1087	981	5.91
19	A	977	882	3.83
20	A	927	837	1.12
21	A	850	768	24.20
22	A	794	716	64.77
23	A	732	661	14.34
24	A	676	610	3.22
25	A	542	489	0.61
26	A	443	400	2.21
27	A	124	112	1.90

Atom	x (Å)	y (Å)	z (Å)
C1	-0.084	-1.301	0.161
H2	-0.037	-1.643	1.182
H3	0.099	-2.126	-0.506
C4	-1.408	-0.570	-0.134
H5	-2.189	-0.932	0.526
H6	-1.736	-0.771	-1.150
C7	0.082	1.311	0.067
H8	0.436	2.316	0.146
C9	-1.175	0.913	0.039
H10	-2.002	1.595	0.098
S11	1.309	-0.035	-0.068

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0781	1.0768	1.5408	2.1677	2.1743	2.6193	3.6544	2.4713	3.4736	1.8967
H2	1.0781		1.7612	2.1827	2.3596	3.0145	3.1602	4.1199	3.0229	3.9397	2.4416
H3	1.0768	1.7612		2.1983	2.7799	2.3703	3.4850	4.5026	3.3405	4.3156	2.4556
C4	1.5408	2.1827	2.1983		1.0842	1.0868	2.4084	3.4367	1.5113	2.2566	2.7704
H5	2.1677	2.3596	2.7799	1.0842		1.7441	3.2245	4.1932	2.1605	2.5693	3.6596
H6	2.1743	3.0145	2.3703	1.0868	1.7441		3.0204	3.9913	2.1367	2.6882	3.3144
C7	2.6193	3.1602	3.4850	2.4084	3.2245	3.0204		1.0684	1.3189	2.1030	1.8264
H8	3.6544	4.1199	4.5026	3.4367	4.1932	3.9913	1.0684		2.1393	2.5428	2.5168
C9	2.4713	3.0229	3.3405	1.5113	2.1605	2.1367	1.3189	2.1393		1.0729	2.6611
H10	3.4736	3.9397	4.3156	2.2566	2.5693	2.6882	2.1030	2.5428	1.0729		3.6937
S11	1.8967	2.4416	2.4556	2.7704	3.6596	3.3144	1.8264	2.5168	2.6611	3.6937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.120	C1	C4	H6	110.492
C1	C4	C9	108.131	C1	S11	C7	89.400
H2	C1	H3	109.629	H2	C1	C4	111.694
H2	C1	S11	107.087	H3	C1	C4	113.052
H3	C1	S11	108.163	C4	C1	S11	106.946
C4	C9	C7	116.469	C4	C9	H10	120.730
H5	C4	H6	106.900	H5	C4	C9	111.639
H6	C4	C9	109.571	C7	C9	H10	122.764
H8	C7	C9	126.983	H8	C7	S11	118.409
C9	C7	S11	114.603

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

using model chemistry: HF/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	CHELPG
1	C	-0.552	0.077
2	H	0.208	0.028
3	H	0.205	0.037
4	C	-0.338	0.243
5	H	0.181	-0.039
6	H	0.186	-0.031
7	C	-0.497	-0.157
8	H	0.218	0.196
9	C	-0.102	-0.204
10	H	0.200	0.112
11	S	0.290	-0.262

	x	y	z	Total
	-2.375	-0.293	0.242	2.405
CHELPG	-2.217	-0.257	0.235	2.245
AIM
ESP

	x	y	z
x	9.893	0.453	-0.111
y	0.453	8.240	0.070
z	-0.111	0.070	4.844

<r²>	131.133
(<r²>)^1/2	11.451

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

using model chemistry: HF/6-31G

States and conformations

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