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	hartrees
Energy at 0K	-554.220010
Energy at 298.15K	-554.226855
Nuclear repulsion energy	215.690559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3239	3123	6.11
2	A	3206	3091	2.65
3	A	3142	3029	10.19
4	A	3079	2968	41.04
5	A	3064	2954	7.86
6	A	3003	2895	42.04
7	A	1641	1582	19.29
8	A	1496	1443	1.26
9	A	1479	1426	2.78
10	A	1344	1296	0.38
11	A	1326	1279	4.73
12	A	1283	1237	17.39
13	A	1206	1163	1.93
14	A	1146	1105	1.07
15	A	1124	1084	1.20
16	A	1020	983	5.94
17	A	997	961	3.63
18	A	918	885	1.35
19	A	913	880	2.61
20	A	860	829	1.71
21	A	787	759	24.13
22	A	691	666	28.78
23	A	672	648	35.83
24	A	646	623	9.51
25	A	502	484	0.46
26	A	408	393	2.12
27	A	158	153	1.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.079	-1.273	0.196
H2	-0.061	-1.552	1.254
H3	0.112	-2.161	-0.409
C4	-1.399	-0.563	-0.165
H5	-2.225	-0.959	0.437
H6	-1.660	-0.740	-1.220
C7	0.116	1.285	0.076
H8	0.494	2.297	0.156
C9	-1.171	0.916	0.058
H10	-1.991	1.624	0.121
S11	1.283	-0.044	-0.083

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0941	1.0913	1.5422	2.1821	2.1884	2.5684	3.6166	2.4505	3.4723	1.8564
H2	1.0941		1.7791	2.1876	2.3883	3.0560	3.0770	4.0413	2.9591	3.8861	2.4227
H3	1.0913	1.7791		2.2134	2.7610	2.4123	3.4802	4.5105	3.3668	4.3628	2.4417
C4	1.5422	2.1876	2.2134		1.0960	1.1010	2.4017	3.4451	1.5130	2.2836	2.7338
H5	2.1821	2.3883	2.7610	1.0960		1.7647	3.2626	4.2515	2.1840	2.6130	3.6630
H6	2.1884	3.0560	2.4123	1.1010	1.7647		2.9886	3.9694	2.1481	2.7377	3.2309
C7	2.5684	3.0770	3.4802	2.4017	3.2626	2.9886		1.0837	1.3390	2.1346	1.7760
H8	3.6166	4.0413	4.5105	3.4451	4.2515	3.9694	1.0837		2.1657	2.5749	2.4823
C9	2.4505	2.9591	3.3668	1.5130	2.1840	2.1481	1.3390	2.1657		1.0852	2.6395
H10	3.4723	3.8861	4.3628	2.2836	2.6130	2.7377	2.1346	2.5749	1.0852		3.6806
S11	1.8564	2.4227	2.4417	2.7338	3.6630	3.2309	1.7760	2.4823	2.6395	3.6806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.461	C1	C4	H6	110.663
C1	C4	C9	106.656	C1	S11	C7	89.968
H2	C1	H3	108.988	H2	C1	C4	111.011
H2	C1	S11	107.567	H3	C1	C4	113.270
H3	C1	S11	109.080	C4	C1	S11	106.738
C4	C9	C7	114.595	C4	C9	H10	122.164
H5	C4	H6	106.886	H5	C4	C9	112.698
H6	C4	C9	109.517	C7	C9	H10	123.078
H8	C7	C9	126.421	H8	C7	S11	118.436
C9	C7	S11	115.130

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

using model chemistry: B3LYP/6-31+G**

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	ESP
1	C	-0.425	-0.110
2	H	0.187	0.091
3	H	0.176	0.098
4	C	-0.317	0.119
5	H	0.153	0.008
6	H	0.160	0.018
7	C	-0.196	-0.265
8	H	0.159	0.222
9	C	-0.052	-0.138
10	H	0.135	0.098
11	S	0.019	-0.143

	x	y	z	Total
	-1.652	-0.446	0.165	1.719
CHELPG
AIM
ESP	-1.631	-0.439	0.217	1.703

	x	y	z
x	11.557	0.056	-0.075
y	0.056	9.554	0.117
z	-0.075	0.117	7.278

<r²>	129.148
(<r²>)^1/2	11.364

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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