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	hartrees
Energy at 0K	-35.354408
Energy at 298.15K	-35.361571
Nuclear repulsion energy	86.787164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3429	3079	20.68
2	A	3386	3041	7.26
3	A	3335	2995	41.00
4	A	3280	2946	84.81
5	A	3265	2932	21.32
6	A	3221	2893	65.55
7	A	1806	1622	14.41
8	A	1633	1466	0.39
9	A	1609	1445	1.11
10	A	1480	1329	0.30
11	A	1448	1300	5.97
12	A	1395	1252	18.68
13	A	1321	1186	2.72
14	A	1242	1116	1.19
15	A	1203	1080	0.57
16	A	1106	994	8.09
17	A	1072	963	3.68
18	A	1035	929	0.98
19	A	981	881	2.63
20	A	932	837	1.54
21	A	855	768	25.92
22	A	772	693	65.52
23	A	752	675	9.35
24	A	700	629	5.70
25	A	534	479	0.35
26	A	428	384	2.15
27	A	191	171	1.19

Atom	x (Å)	y (Å)	z (Å)
C1	-1.135	-0.573	0.194
H2	-1.348	-0.676	1.256
H3	-1.950	-1.010	-0.376
C4	-0.868	0.906	-0.168
H5	-1.490	1.567	0.437
H6	-1.104	1.099	-1.218
C7	1.358	0.008	0.052
H8	2.431	-0.051	0.141
C9	0.621	1.129	0.069
H10	1.049	2.115	0.176
S11	0.418	-1.488	-0.168

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0878	1.0867	1.5459	2.1824	2.1883	2.5639	3.6045	2.4485	3.4630	1.8380
H2	1.0878		1.7714	2.1820	2.3920	3.0542	3.0396	3.9895	2.9228	3.8339	2.4087
H3	1.0867	1.7714		2.2106	2.7410	2.4232	3.4880	4.5148	3.3742	4.3661	2.4246
C4	1.5459	2.1820	2.2106		1.0904	1.0930	2.4109	3.4489	1.5240	2.2918	2.7172
H5	2.1824	2.3920	2.7410	1.0904		1.7621	3.2697	4.2519	2.1867	2.6101	3.6515
H6	2.1883	3.0542	2.4232	1.0930	1.7621		2.9778	3.9577	2.1523	2.7582	3.1794
C7	2.5639	3.0396	3.4880	2.4109	3.2697	2.9778		1.0780	1.3424	2.1334	1.7802
H8	3.6045	3.9895	4.5148	3.4489	4.2519	3.9577	1.0780		2.1620	2.5695	2.4928
C9	2.4485	2.9228	3.3742	1.5240	2.1867	2.1523	1.3424	2.1620		1.0798	2.6354
H10	3.4630	3.8339	4.3661	2.2918	2.6101	2.7582	2.1334	2.5695	1.0798		3.6734
S11	1.8380	2.4087	2.4246	2.7172	3.6515	3.1794	1.7802	2.4928	2.6354	3.6734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.564	C1	C4	H6	110.875
C1	C4	C9	105.800	C1	S11	C7	90.229
H2	C1	H3	109.100	H2	C1	C4	110.681
H2	C1	S11	108.065	H3	C1	C4	113.054
H3	C1	S11	109.282	C4	C1	S11	106.511
C4	C9	C7	114.362	C4	C9	H10	122.408
H5	C4	H6	107.614	H5	C4	C9	112.470
H6	C4	C9	109.552	C7	C9	H10	123.112
H8	C7	C9	126.222	H8	C7	S11	119.374
C9	C7	S11	114.395

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

using model chemistry: HF/CEP-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	-0.285
2	H	0.136
3	H	0.152
4	C	-0.088
5	H	0.114
6	H	0.111
7	C	-0.305
8	H	0.277
9	C	-0.282
10	H	0.274
11	S	-0.103

	x	y	z	Total
	-0.908	1.734	0.283	1.978
CHELPG
AIM
ESP

	x	y	z
x	8.664	-0.778	-0.097
y	-0.778	9.886	0.373
z	-0.097	0.373	5.004

<r²>	93.906
(<r²>)^1/2	9.690

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

using model chemistry: HF/CEP-31G*

States and conformations

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