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	hartrees
Energy at 0K	-164.769980
Energy at 298.15K	-164.777061
Nuclear repulsion energy	145.393159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3454	3108	15.60
2	A	3399	3059	6.50
3	A	3364	3027	24.52
4	A	3291	2961	63.90
5	A	3266	2939	22.82
6	A	3214	2893	56.02
7	A	1795	1615	9.89
8	A	1649	1484	2.85
9	A	1633	1470	3.45
10	A	1483	1334	4.39
11	A	1455	1309	5.90
12	A	1416	1274	25.12
13	A	1345	1210	2.90
14	A	1267	1140	1.01
15	A	1238	1114	0.17
16	A	1130	1017	6.34
17	A	1096	986	6.05
18	A	1070	963	3.67
19	A	975	878	5.16
20	A	926	833	1.49
21	A	846	761	26.16
22	A	785	706	85.66
23	A	731	658	15.87
24	A	678	610	2.80
25	A	541	487	0.45
26	A	437	393	2.40
27	A	125	113	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	1.278	0.413	0.129
H2	1.619	0.527	1.145
H3	2.081	0.650	-0.549
C4	0.681	-0.994	-0.117
H5	1.111	-1.708	0.575
H6	0.915	-1.339	-1.119
C7	-1.340	0.328	0.033
H8	-2.374	0.591	0.099
C9	-0.826	-0.898	0.048
H10	-1.427	-1.782	0.134
S11	-0.115	1.661	-0.141

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0778	1.0766	1.5481	2.1744	2.1815	2.6207	3.6560	2.4801	3.4838	1.8886
H2	1.0778		1.7595	2.1869	2.3615	3.0168	3.1667	4.1277	3.0345	3.9535	2.4379
H3	1.0766	1.7595		2.2016	2.7861	2.3748	3.4844	4.5016	3.3464	4.3225	2.4508
C4	1.5481	2.1869	2.2016		1.0832	1.0855	2.4195	3.4484	1.5192	2.2649	2.7713
H5	2.1744	2.3615	2.7861	1.0832		1.7449	3.2320	4.2020	2.1649	2.5778	3.6556
H6	2.1815	3.0168	2.3748	1.0855	1.7449		3.0311	4.0027	2.1416	2.6928	3.3185
C7	2.6207	3.1667	3.4844	2.4195	3.2320	3.0311		1.0690	1.3289	2.1136	1.8185
H8	3.6560	4.1277	4.5016	3.4484	4.2020	4.0027	1.0690		2.1481	2.5544	2.5111
C9	2.4801	3.0345	3.3464	1.5192	2.1649	2.1416	1.3289	2.1481		1.0727	2.6619
H10	3.4838	3.9535	4.3225	2.2649	2.5778	2.6928	2.1136	2.5544	1.0727		3.6942
S11	1.8886	2.4379	2.4508	2.7713	3.6556	3.3185	1.8185	2.5111	2.6619	3.6942

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.200	C1	C4	H6	110.628
C1	C4	C9	107.910	C1	S11	C7	89.950
H2	C1	H3	109.517	H2	C1	C4	111.522
H2	C1	S11	107.363	H3	C1	C4	112.792
H3	C1	S11	108.355	C4	C1	S11	107.070
C4	C9	C7	116.157	C4	C9	H10	120.853
H5	C4	H6	107.142	H5	C4	C9	111.493
H6	C4	C9	109.485	C7	C9	H10	122.953
H8	C7	C9	126.883	H8	C7	S11	118.507
C9	C7	S11	114.606

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

using model chemistry: HF/LANL2DZ

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	-0.586
2	H	0.232
3	H	0.228
4	C	-0.299
5	H	0.191
6	H	0.191
7	C	-0.445
8	H	0.238
9	C	-0.127
10	H	0.221
11	S	0.156

	x	y	z	Total
	0.644	-2.373	0.269	2.474
CHELPG
AIM
ESP

	x	y	z
x	8.539	-0.580	0.003
y	-0.580	9.740	-0.366
z	0.003	-0.366	4.293

<r²>	109.524
(<r²>)^1/2	10.465

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

using model chemistry: HF/LANL2DZ

States and conformations

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