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	hartrees
Energy at 0K	-554.036506
Energy at 298.15K	-554.043130
Nuclear repulsion energy	210.196666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3165	8.77
2	A	3126	3103	7.40
3	A	3101	3077	14.36
4	A	3031	3008	32.69
5	A	2984	2961	20.24
6	A	2929	2907	45.52
7	A	1606	1594	13.25
8	A	1493	1482	1.39
9	A	1483	1471	1.20
10	A	1316	1306	2.12
11	A	1306	1296	7.37
12	A	1263	1253	15.93
13	A	1190	1181	1.31
14	A	1129	1121	0.54
15	A	1121	1113	0.36
16	A	998	991	3.38
17	A	979	972	2.84
18	A	894	887	1.83
19	A	883	877	3.85
20	A	835	829	1.90
21	A	751	745	13.62
22	A	670	665	55.47
23	A	640	635	16.02
24	A	579	574	3.24
25	A	471	467	0.81
26	A	391	388	2.41
27	A	124	123	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.127	-1.321	0.171
H2	-0.081	-1.649	1.219
H3	0.056	-2.172	-0.497
C4	-1.443	-0.550	-0.145
H5	-2.260	-0.916	0.503
H6	-1.760	-0.741	-1.191
C7	0.108	1.325	0.068
H8	0.503	2.337	0.141
C9	-1.184	0.942	0.049
H10	-2.013	1.653	0.106
S11	1.340	-0.055	-0.071

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0994	1.0973	1.5571	2.1963	2.2040	2.6583	3.7121	2.5006	3.5218	1.9531
H2	1.0994		1.7994	2.2191	2.4082	3.0748	3.1946	4.1705	3.0498	3.9844	2.4950
H3	1.0973	1.7994		2.2364	2.8188	2.4143	3.5425	4.5758	3.3961	4.3902	2.5123
C4	1.5571	2.2191	2.2364		1.1055	1.1095	2.4427	3.4933	1.5270	2.2894	2.8273
H5	2.1963	2.4082	2.8188	1.1055		1.7756	3.2890	4.2829	2.1943	2.6107	3.7456
H6	2.2040	3.0748	2.4143	1.1095	1.7756		3.0566	4.0457	2.1683	2.7343	3.3665
C7	2.6583	3.1946	3.5425	2.4427	3.2890	3.0566		1.0889	1.3479	2.1465	1.8544
H8	3.7121	4.1705	4.5758	3.4933	4.2829	4.0457	1.0889		2.1908	2.6070	2.5429
C9	2.5006	3.0498	3.3961	1.5270	2.1943	2.1683	1.3479	2.1908		1.0932	2.7161
H10	3.5218	3.9844	4.3902	2.2894	2.6107	2.7343	2.1465	2.6070	1.0932		3.7664
S11	1.9531	2.4950	2.5123	2.8273	3.7456	3.3665	1.8544	2.5429	2.7161	3.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	109.988	C1	C4	H6	110.355
C1	C4	C9	108.349	C1	S11	C7	88.522
H2	C1	H3	109.996	H2	C1	C4	112.153
H2	C1	S11	106.251	H3	C1	C4	113.683
H3	C1	S11	107.557	C4	C1	S11	106.767
C4	C9	C7	116.217	C4	C9	H10	120.904
H5	C4	H6	106.572	H5	C4	C9	111.938
H6	C4	C9	109.642	C7	C9	H10	122.777
H8	C7	C9	127.749	H8	C7	S11	117.132
C9	C7	S11	115.114

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

using model chemistry: BLYP/6-31G

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	-0.427
2	H	0.166
3	H	0.158
4	C	-0.250
5	H	0.132
6	H	0.139
7	C	-0.368
8	H	0.139
9	C	-0.007
10	H	0.112
11	S	0.206

	x	y	z	Total
	-1.995	-0.373	0.202	2.040
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	134.700
(<r²>)^1/2	11.606

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

using model chemistry: BLYP/6-31G

States and conformations

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