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	hartrees
Energy at 0K	-35.263551
Energy at 298.15K	-35.270660
Nuclear repulsion energy	85.995196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3396	3099	13.39
2	A	3337	3045	7.27
3	A	3312	3022	23.41
4	A	3233	2950	62.15
5	A	3210	2930	19.87
6	A	3157	2881	57.15
7	A	1765	1611	10.84
8	A	1637	1494	1.91
9	A	1615	1474	2.56
10	A	1473	1344	1.52
11	A	1441	1315	6.17
12	A	1399	1277	27.05
13	A	1331	1215	3.25
14	A	1255	1145	1.79
15	A	1221	1114	0.19
16	A	1122	1024	6.85
17	A	1090	994	4.40
18	A	1058	966	2.66
19	A	969	885	4.37
20	A	920	840	1.41
21	A	838	765	25.15
22	A	778	710	75.29
23	A	729	665	13.51
24	A	677	618	3.08
25	A	535	488	0.46
26	A	432	394	2.05
27	A	129	117	1.69

Atom	x (Å)	y (Å)	z (Å)
C1	-1.169	-0.587	0.149
H2	-1.460	-0.752	1.176
H3	-1.915	-1.000	-0.513
C4	-0.880	0.912	-0.128
H5	-1.460	1.537	0.545
H6	-1.172	1.177	-1.142
C7	1.380	0.046	0.046
H8	2.449	0.004	0.119
C9	0.617	1.139	0.048
H10	1.021	2.132	0.132
S11	0.457	-1.523	-0.130

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0808	1.0793	1.5512	2.1794	2.1856	2.6287	3.6657	2.4853	3.4911	1.8968
H2	1.0808		1.7667	2.1926	2.3743	3.0299	3.1600	4.1195	3.0274	3.9456	2.4447
H3	1.0793	1.7667		2.2082	2.7861	2.3848	3.5018	4.5218	3.3613	4.3412	2.4586
C4	1.5512	2.1926	2.2082		1.0858	1.0885	2.4266	3.4587	1.5238	2.2738	2.7776
H5	2.1794	2.3743	2.7861	1.0858		1.7492	3.2462	4.2194	2.1718	2.5846	3.6727
H6	2.1856	3.0299	2.3848	1.0885	1.7492		3.0338	4.0093	2.1487	2.7106	3.3115
C7	2.6287	3.1600	3.5018	2.4266	3.2462	3.0338		1.0716	1.3334	2.1184	1.8284
H8	3.6657	4.1195	4.5218	3.4587	4.2194	4.0093	1.0716		2.1559	2.5618	2.5219
C9	2.4853	3.0274	3.3613	1.5238	2.1718	2.1487	1.3334	2.1559		1.0755	2.6723
H10	3.4911	3.9456	4.3412	2.2738	2.5846	2.7106	2.1184	2.5618	1.0755		3.7070
S11	1.8968	2.4447	2.4586	2.7776	3.6727	3.3115	1.8284	2.5219	2.6723	3.7070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.229	C1	C4	H6	110.554
C1	C4	C9	107.846	C1	S11	C7	89.743
H2	C1	H3	109.746	H2	C1	C4	111.577
H2	C1	S11	107.168	H3	C1	C4	112.943
H3	C1	S11	108.246	C4	C1	S11	106.902
C4	C9	C7	116.112	C4	C9	H10	121.068
H5	C4	H6	107.117	H5	C4	C9	111.559
H6	C4	C9	109.554	C7	C9	H10	122.784
H8	C7	C9	127.041	H8	C7	S11	118.479
C9	C7	S11	114.474

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

using model chemistry: HF/CEP-121G

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	-0.533
2	H	0.190
3	H	0.183
4	C	-0.293
5	H	0.152
6	H	0.157
7	C	-0.474
8	H	0.201
9	C	-0.001
10	H	0.194
11	S	0.223

	x	y	z	Total
	-1.082	2.153	0.299	2.428
CHELPG
AIM
ESP

	x	y	z
x	9.276	-0.890	-0.051
y	-0.890	10.151	0.238
z	-0.051	0.238	5.591

<r²>	96.171
(<r²>)^1/2	9.807

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

using model chemistry: HF/CEP-121G

States and conformations

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