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	hartrees
Energy at 0K	-554.235832
Energy at 298.15K	-554.242764
Nuclear repulsion energy	217.399387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	3109	6.06
2	A	3219	3079	1.38
3	A	3159	3022	10.05
4	A	3099	2965	34.56
5	A	3081	2948	12.55
6	A	3021	2890	38.48
7	A	1663	1591	14.13
8	A	1490	1425	2.05
9	A	1472	1408	3.46
10	A	1350	1291	0.60
11	A	1331	1273	4.00
12	A	1287	1231	18.92
13	A	1212	1159	2.61
14	A	1155	1105	0.48
15	A	1123	1075	1.23
16	A	1030	985	6.69
17	A	1007	964	4.67
18	A	935	895	3.20
19	A	929	889	1.24
20	A	869	831	2.44
21	A	801	766	26.78
22	A	702	671	18.20
23	A	686	657	31.20
24	A	659	630	19.77
25	A	505	483	0.86
26	A	413	395	2.61
27	A	173	165	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.069	-1.257	0.212
H2	-0.059	-1.499	1.276
H3	0.133	-2.159	-0.362
C4	-1.379	-0.569	-0.177
H5	-2.214	-0.979	0.398
H6	-1.606	-0.737	-1.239
C7	0.106	1.275	0.082
H8	0.480	2.286	0.169
C9	-1.170	0.901	0.061
H10	-1.993	1.601	0.128
S11	1.271	-0.038	-0.089

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0914	1.0885	1.5298	2.1707	2.1765	2.5412	3.5848	2.4270	3.4458	1.8356
H2	1.0914		1.7769	2.1722	2.3844	3.0492	3.0247	3.9797	2.9103	3.8296	2.4011
H3	1.0885	1.7769		2.2018	2.7346	2.4112	3.4629	4.4897	3.3527	4.3469	2.4221
C4	1.5298	2.1722	2.2018		1.0929	1.0983	2.3823	3.4246	1.5041	2.2758	2.7038
H5	2.1707	2.3844	2.7346	1.0929		1.7618	3.2498	4.2384	2.1760	2.6027	3.6416
H6	2.1765	3.0492	2.4112	1.0983	1.7618		2.9539	3.9335	2.1361	2.7354	3.1759
C7	2.5412	3.0247	3.4629	2.3823	3.2498	2.9539		1.0809	1.3301	2.1247	1.7636
H8	3.5848	3.9797	4.4897	3.4246	4.2384	3.9335	1.0809		2.1569	2.5665	2.4682
C9	2.4270	2.9103	3.3527	1.5041	2.1760	2.1361	1.3301	2.1569		1.0823	2.6194
H10	3.4458	3.8296	4.3469	2.2758	2.6027	2.7354	2.1247	2.5665	1.0823		3.6584
S11	1.8356	2.4011	2.4221	2.7038	3.6416	3.1759	1.7636	2.4682	2.6194	3.6584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.614	C1	C4	H6	110.749
C1	C4	C9	106.251	C1	S11	C7	89.807
H2	C1	H3	109.197	H2	C1	C4	110.820
H2	C1	S11	107.493	H3	C1	C4	113.395
H3	C1	S11	109.170	C4	C1	S11	106.562
C4	C9	C7	114.262	C4	C9	H10	122.421
H5	C4	H6	107.039	H5	C4	C9	112.884
H6	C4	C9	109.343	C7	C9	H10	123.136
H8	C7	C9	126.602	H8	C7	S11	118.396
C9	C7	S11	114.988

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

using model chemistry: mPW1PW91/6-311G**

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	-0.411
2	H	0.177
3	H	0.172
4	C	-0.226
5	H	0.142
6	H	0.150
7	C	-0.244
8	H	0.149
9	C	-0.141
10	H	0.118
11	S	0.115

	x	y	z	Total
	-1.670	-0.373	0.223	1.726
CHELPG
AIM
ESP

	x	y	z
x	10.787	0.140	-0.168
y	0.140	8.972	0.086
z	-0.168	0.086	5.636

<r²>	126.974
(<r²>)^1/2	11.268

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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