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	hartrees
Energy at 0K	-554.229691
Energy at 298.15K	-554.236518
Nuclear repulsion energy	215.340629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3226	3129	6.27
2	A	3194	3098	1.73
3	A	3129	3035	11.19
4	A	3067	2975	39.85
5	A	3052	2960	9.35
6	A	2992	2903	41.74
7	A	1650	1600	13.62
8	A	1462	1418	0.95
9	A	1443	1400	1.50
10	A	1331	1291	0.44
11	A	1308	1269	4.05
12	A	1262	1224	14.53
13	A	1189	1154	2.23
14	A	1132	1098	0.83
15	A	1103	1070	0.71
16	A	1014	984	4.52
17	A	987	958	2.35
18	A	920	892	2.39
19	A	913	885	1.41
20	A	849	823	2.07
21	A	781	758	20.33
22	A	688	667	21.70
23	A	669	649	23.94
24	A	644	625	7.51
25	A	499	484	0.46
26	A	406	394	2.28
27	A	154	149	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.081	-1.274	0.194
H2	-0.056	-1.556	1.258
H3	0.115	-2.166	-0.416
C4	-1.400	-0.563	-0.163
H5	-2.230	-0.962	0.443
H6	-1.667	-0.741	-1.224
C7	0.114	1.286	0.076
H8	0.493	2.306	0.154
C9	-1.173	0.915	0.057
H10	-1.998	1.627	0.119
S11	1.286	-0.043	-0.082

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.1014	1.0983	1.5404	2.1866	2.1928	2.5700	3.6255	2.4499	3.4777	1.8595
H2	1.1014		1.7896	2.1935	2.3967	3.0686	3.0832	4.0541	2.9656	3.8985	2.4263
H3	1.0983	1.7896		2.2200	2.7730	2.4203	3.4872	4.5241	3.3728	4.3747	2.4472
C4	1.5404	2.1935	2.2200		1.1027	1.1079	2.4022	3.4520	1.5120	2.2878	2.7374
H5	2.1866	2.3967	2.7730	1.1027		1.7735	3.2688	4.2635	2.1886	2.6189	3.6724
H6	2.1928	3.0686	2.4203	1.1079	1.7735		2.9950	3.9809	2.1514	2.7424	3.2419
C7	2.5700	3.0832	3.4872	2.4022	3.2688	2.9950		1.0906	1.3394	2.1400	1.7796
H8	3.6255	4.0541	4.5241	3.4520	4.2635	3.9809	1.0906		2.1720	2.5821	2.4911
C9	2.4499	2.9656	3.3728	1.5120	2.1886	2.1514	1.3394	2.1720		1.0917	2.6429
H10	3.4777	3.8985	4.3747	2.2878	2.6189	2.7424	2.1400	2.5821	1.0917		3.6902
S11	1.8595	2.4263	2.4472	2.7374	3.6724	3.2419	1.7796	2.4911	2.6429	3.6902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.547	C1	C4	H6	110.725
C1	C4	C9	106.754	C1	S11	C7	89.826
H2	C1	H3	108.897	H2	C1	C4	111.168
H2	C1	S11	107.269	H3	C1	C4	113.496
H3	C1	S11	108.923	C4	C1	S11	106.868
C4	C9	C7	114.673	C4	C9	H10	122.139
H5	C4	H6	106.691	H5	C4	C9	112.722
H6	C4	C9	109.442	C7	C9	H10	123.030
H8	C7	C9	126.413	H8	C7	S11	118.449
C9	C7	S11	115.123

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

using model chemistry: B3LYP/cc-pVDZ

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	-0.091
2	H	0.057
3	H	0.044
4	C	0.036
5	H	0.023
6	H	0.032
7	C	-0.060
8	H	0.013
9	C	-0.022
10	H	-0.019
11	S	-0.012

	x	y	z	Total
	-1.450	-0.366	0.160	1.504
CHELPG
AIM
ESP

	x	y	z
x	10.476	0.130	-0.115
y	0.130	9.101	0.099
z	-0.115	0.099	5.319

<r²>	129.057
(<r²>)^1/2	11.360

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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