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	hartrees
Energy at 0K	-552.524063
Energy at 298.15K	-552.531249
HF Energy	-552.524063
Nuclear repulsion energy	217.327857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3378	3069	8.59
2	A	3338	3033	3.74
3	A	3279	2979	18.32
4	A	3224	2929	55.66
5	A	3205	2912	10.31
6	A	3159	2870	43.98
7	A	1795	1631	11.82
8	A	1624	1475	0.78
9	A	1603	1456	2.17
10	A	1472	1338	0.25
11	A	1447	1315	3.81
12	A	1401	1273	19.92
13	A	1320	1199	2.55
14	A	1248	1134	1.54
15	A	1220	1109	0.48
16	A	1109	1008	6.60
17	A	1066	968	3.27
18	A	1055	959	2.02
19	A	970	881	2.49
20	A	928	843	1.70
21	A	851	773	21.92
22	A	771	700	54.47
23	A	746	677	13.38
24	A	703	639	4.81
25	A	544	494	0.43
26	A	440	400	1.49
27	A	168	152	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.069	-1.224	0.336
H2	-0.161	-1.240	1.417
H3	0.131	-2.223	-0.033
C4	-1.294	-0.574	-0.298
H5	-2.238	-1.049	-0.054
H6	-1.137	-0.636	-1.377
C7	0.076	1.270	0.079
H8	0.366	2.263	0.210
C9	-1.179	0.843	0.095
H10	-1.978	1.438	0.406
S11	1.238	-0.028	-0.115

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0857	1.0840	1.5245	2.2102	2.1020	2.5110	3.5160	2.3581	3.2757	1.8284
H2	1.0857		1.7767	2.1611	2.5523	3.0206	2.8542	3.7421	2.6690	3.3899	2.4029
H3	1.0840	1.7767		2.1955	2.6440	2.4359	3.4952	4.4987	3.3367	4.2476	2.4600
C4	1.5245	2.1611	2.1955		1.0845	1.0913	2.3282	3.3264	1.4753	2.2388	2.5973
H5	2.2102	2.5523	2.6440	1.0845		1.7697	3.2788	4.2216	2.1735	2.5427	3.6237
H6	2.1020	3.0206	2.4359	1.0913	1.7697		2.6871	3.6303	2.0861	2.8606	2.7578
C7	2.5110	2.8542	3.4952	2.3282	3.2788	2.6871		1.0428	1.3256	2.0862	1.7528
H8	3.5160	3.7421	4.4987	3.3264	4.2216	3.6303	1.0428		2.1016	2.4924	2.4725
C9	2.3581	2.6690	3.3367	1.4753	2.1735	2.0861	1.3256	2.1016		1.0435	2.5778
H10	3.2757	3.3899	4.2476	2.2388	2.5427	2.8606	2.0862	2.4924	1.0435		3.5722
S11	1.8284	2.4029	2.4600	2.5973	3.6237	2.7578	1.7528	2.4725	2.5778	3.5722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	114.766	C1	C4	H6	105.758
C1	C4	C9	103.636	C1	S11	C7	89.016
H2	C1	H3	109.949	H2	C1	C4	110.658
H2	C1	S11	108.386	H3	C1	C4	113.563
H3	C1	S11	112.764	C4	C1	S11	101.160
C4	C9	C7	112.347	C4	C9	H10	124.574
H5	C4	H6	108.857	H5	C4	C9	115.388
H6	C4	C9	107.802	C7	C9	H10	122.986
H8	C7	C9	124.653	H8	C7	S11	122.297
C9	C7	S11	112.994

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

using model chemistry: HF/TZVP

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	-0.196
2	H	0.110
3	H	0.112
4	C	-0.072
5	H	0.092
6	H	0.092
7	C	-0.123
8	H	0.156
9	C	-0.237
10	H	0.126
11	S	-0.060

	x	y	z	Total
	-1.884	-0.372	0.201	1.930
CHELPG
AIM
ESP

	x	y	z
x	10.537	0.348	-0.119
y	0.348	8.875	0.019
z	-0.119	0.019	6.152

<r²>	127.497
(<r²>)^1/2	11.291

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

using model chemistry: HF/TZVP

States and conformations

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