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	hartrees
Energy at 0K	-554.095123
Energy at 298.15K	-554.101778
HF Energy	-554.095123
Nuclear repulsion energy	213.667007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3155	3129	11.07
2	A	3118	3093	5.25
3	A	3066	3041	14.20
4	A	3004	2980	41.38
5	A	2981	2957	15.04
6	A	2919	2895	46.12
7	A	1597	1584	13.30
8	A	1481	1469	1.03
9	A	1465	1453	0.52
10	A	1313	1302	0.54
11	A	1298	1288	5.27
12	A	1254	1244	15.41
13	A	1180	1170	1.42
14	A	1122	1113	0.53
15	A	1103	1094	1.02
16	A	995	987	4.10
17	A	969	961	2.83
18	A	887	880	2.11
19	A	872	865	1.24
20	A	833	827	1.88
21	A	760	754	17.92
22	A	665	660	21.52
23	A	647	642	29.46
24	A	615	610	3.41
25	A	484	480	0.41
26	A	393	390	2.50
27	A	139	138	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.077	-1.282	0.187
H2	-0.059	-1.588	1.245
H3	0.108	-2.169	-0.435
C4	-1.416	-0.565	-0.158
H5	-2.237	-0.959	0.465
H6	-1.701	-0.750	-1.213
C7	0.118	1.295	0.072
H8	0.501	2.314	0.150
C9	-1.178	0.925	0.056
H10	-2.007	1.635	0.121
S11	1.295	-0.045	-0.079

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.1017	1.0989	1.5579	2.2020	2.2090	2.5869	3.6424	2.4698	3.4984	1.8666
H2	1.1017		1.7860	2.2040	2.3976	3.0725	3.1175	4.0912	2.9965	3.9299	2.4432
H3	1.0989	1.7860		2.2297	2.7883	2.4265	3.5006	4.5378	3.3861	4.3876	2.4592
C4	1.5579	2.2040	2.2297		1.1035	1.1083	2.4219	3.4729	1.5239	2.2950	2.7620
H5	2.2020	2.3976	2.7883	1.1035		1.7746	3.2833	4.2791	2.1991	2.6265	3.6891
H6	2.2090	3.0725	2.4265	1.1083	1.7746		3.0231	4.0118	2.1655	2.7501	3.2798
C7	2.5869	3.1175	3.5006	2.4219	3.2833	3.0231		1.0917	1.3480	2.1526	1.7900
H8	3.6424	4.0912	4.5378	3.4729	4.2791	4.0118	1.0917		2.1818	2.5991	2.4993
C9	2.4698	2.9965	3.3861	1.5239	2.1991	2.1655	1.3480	2.1818		1.0934	2.6602
H10	3.4984	3.9299	4.3876	2.2950	2.6265	2.7501	2.1526	2.5991	1.0934		3.7104
S11	1.8666	2.4432	2.4592	2.7620	3.6891	3.2798	1.7900	2.4993	2.6602	3.7104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.505	C1	C4	H6	110.767
C1	C4	C9	106.532	C1	S11	C7	90.033
H2	C1	H3	108.499	H2	C1	C4	110.761
H2	C1	S11	108.002	H3	C1	C4	112.983
H3	C1	S11	109.295	C4	C1	S11	107.176
C4	C9	C7	114.847	C4	C9	H10	121.666
H5	C4	H6	106.707	H5	C4	C9	112.675
H6	C4	C9	109.704	C7	C9	H10	123.356
H8	C7	C9	126.518	H8	C7	S11	118.265
C9	C7	S11	115.209

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

using model chemistry: BLYP/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
1	C	-0.386
2	H	0.167
3	H	0.161
4	C	-0.260
5	H	0.136
6	H	0.141
7	C	-0.260
8	H	0.145
9	C	-0.059
10	H	0.113
11	S	0.104

	x	y	z	Total
	-1.619	-0.376	0.193	1.673
CHELPG
AIM
ESP

	x	y	z
x	10.445	0.092	-0.107
y	0.092	8.827	0.131
z	-0.107	0.131	5.367

<r²>	130.749
(<r²>)^1/2	11.435

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

using model chemistry: BLYP/6-31G*

States and conformations

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