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	hartrees
Energy at 0K	-553.903275
Energy at 298.15K	-553.910185
HF Energy	-553.903275
Nuclear repulsion energy	217.064165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3265	3117	4.98
2	A	3234	3088	1.41
3	A	3168	3025	7.77
4	A	3109	2968	26.97
5	A	3087	2947	15.21
6	A	3028	2891	38.11
7	A	1662	1587	18.54
8	A	1491	1423	1.85
9	A	1472	1405	4.15
10	A	1351	1290	0.59
11	A	1330	1270	3.50
12	A	1285	1227	17.47
13	A	1211	1156	2.83
14	A	1152	1100	1.04
15	A	1124	1073	1.63
16	A	1032	985	6.39
17	A	1008	963	3.45
18	A	936	894	3.42
19	A	923	881	1.09
20	A	868	829	1.74
21	A	805	769	27.45
22	A	705	673	15.74
23	A	688	657	34.08
24	A	659	630	25.01
25	A	506	484	0.60
26	A	412	393	2.42
27	A	169	161	1.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.085	-1.217	0.337
H2	-0.180	-1.229	1.428
H3	0.107	-2.226	-0.033
C4	-1.304	-0.562	-0.300
H5	-2.258	-1.033	-0.056
H6	-1.140	-0.624	-1.386
C7	0.099	1.267	0.076
H8	0.409	2.266	0.204
C9	-1.176	0.853	0.096
H10	-1.975	1.462	0.412
S11	1.239	-0.041	-0.114

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0945	1.0919	1.5237	2.2156	2.1065	2.5054	3.5204	2.3525	3.2796	1.8280
H2	1.0945		1.7917	2.1667	2.5609	3.0345	2.8526	3.7493	2.6647	3.3906	2.4089
H3	1.0919	1.7917		2.1988	2.6492	2.4405	3.4956	4.5083	3.3385	4.2588	2.4623
C4	1.5237	2.1667	2.1988		1.0916	1.1002	2.3358	3.3435	1.4741	2.2477	2.6024
H5	2.2156	2.5609	2.6492	1.0916		1.7843	3.2962	4.2494	2.1789	2.5541	3.6353
H6	2.1065	3.0345	2.4405	1.1002	1.7843		2.6938	3.6444	2.0929	2.8780	2.7608
C7	2.5054	2.8526	3.4956	2.3358	3.2962	2.6938		1.0527	1.3416	2.1103	1.7460
H8	3.5204	3.7493	4.5083	3.3435	4.2494	3.6444	1.0527		2.1262	2.5241	2.4723
C9	2.3525	2.6647	3.3385	1.4741	2.1789	2.0929	1.3416	2.1262		1.0530	2.5843
H10	3.2796	3.3906	4.2588	2.2477	2.5541	2.8780	2.1103	2.5241	1.0530		3.5872
S11	1.8280	2.4089	2.4623	2.6024	3.6353	2.7608	1.7460	2.4723	2.5843	3.5872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	114.803	C1	C4	H6	105.659
C1	C4	C9	103.382	C1	S11	C7	88.984
H2	C1	H3	110.070	H2	C1	C4	110.627
H2	C1	S11	108.403	H3	C1	C4	113.385
H3	C1	S11	112.524	C4	C1	S11	101.482
C4	C9	C7	112.018	C4	C9	H10	124.761
H5	C4	H6	108.992	H5	C4	C9	115.456
H6	C4	C9	107.894	C7	C9	H10	123.135
H8	C7	C9	124.807	H8	C7	S11	122.143
C9	C7	S11	112.996

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.471
2	H	0.210
3	H	0.199
4	C	-0.359
5	H	0.176
6	H	0.184
7	C	-0.206
8	H	0.186
9	C	-0.085
10	H	0.163
11	S	0.003

	x	y	z	Total
	-1.659	-0.443	0.175	1.726
CHELPG
AIM
ESP

	x	y	z
x	11.304	0.045	-0.083
y	0.045	9.358	0.122
z	-0.083	0.122	7.162

<r²>	127.479
(<r²>)^1/2	11.291

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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