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	hartrees
Energy at 0K	-554.216869
Energy at 298.15K	-554.223780
Nuclear repulsion energy	217.820929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3239	3110	7.04
2	A	3208	3080	1.43
3	A	3153	3027	10.72
4	A	3093	2970	34.38
5	A	3073	2951	14.09
6	A	3012	2892	39.19
7	A	1659	1593	14.31
8	A	1480	1421	1.85
9	A	1463	1404	3.47
10	A	1342	1289	0.58
11	A	1324	1271	4.25
12	A	1280	1229	18.49
13	A	1203	1155	2.59
14	A	1148	1102	0.47
15	A	1117	1072	1.31
16	A	1024	983	5.92
17	A	1001	961	4.84
18	A	934	897	3.17
19	A	923	887	1.06
20	A	863	829	2.32
21	A	798	766	27.07
22	A	695	667	20.65
23	A	683	656	25.61
24	A	653	627	19.42
25	A	496	476	0.80
26	A	409	393	2.57
27	A	178	171	1.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.069	-1.250	0.224
H2	-0.066	-1.466	1.293
H3	0.138	-2.163	-0.329
C4	-1.373	-0.571	-0.187
H5	-2.216	-0.987	0.368
H6	-1.576	-0.734	-1.253
C7	0.105	1.271	0.086
H8	0.477	2.282	0.178
C9	-1.171	0.896	0.063
H10	-1.994	1.594	0.133
S11	1.268	-0.038	-0.094

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0909	1.0878	1.5263	2.1675	2.1722	2.5305	3.5733	2.4176	3.4355	1.8319
H2	1.0909		1.7771	2.1677	2.3883	3.0494	2.9967	3.9478	2.8835	3.7986	2.3966
H3	1.0878	1.7771		2.1996	2.7219	2.4154	3.4596	4.4864	3.3508	4.3451	2.4184
C4	1.5263	2.1677	2.1996		1.0920	1.0977	2.3770	3.4191	1.5021	2.2753	2.6955
H5	2.1675	2.3883	2.7219	1.0920		1.7618	3.2504	4.2393	2.1758	2.6019	3.6401
H6	2.1722	3.0494	2.4154	1.0977	1.7618		2.9390	3.9185	2.1343	2.7422	3.1487
C7	2.5305	2.9967	3.4596	2.3770	3.2504	2.9390		1.0806	1.3293	2.1242	1.7606
H8	3.5733	3.9478	4.4864	3.4191	4.2393	3.9185	1.0806		2.1554	2.5652	2.4658
C9	2.4176	2.8835	3.3508	1.5021	2.1758	2.1343	1.3293	2.1554		1.0819	2.6161
H10	3.4355	3.7986	4.3451	2.2753	2.6019	2.7422	2.1242	2.5652	1.0819		3.6549
S11	1.8319	2.3966	2.4184	2.6955	3.6401	3.1487	1.7606	2.4658	2.6161	3.6549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.663	C1	C4	H6	110.691
C1	C4	C9	105.937	C1	S11	C7	89.537
H2	C1	H3	109.313	H2	C1	C4	110.747
H2	C1	S11	107.439	H3	C1	C4	113.529
H3	C1	S11	109.180	C4	C1	S11	106.415
C4	C9	C7	114.039	C4	C9	H10	122.579
H5	C4	H6	107.140	H5	C4	C9	113.071
H6	C4	C9	109.376	C7	C9	H10	123.187
H8	C7	C9	126.541	H8	C7	S11	118.452
C9	C7	S11	114.989

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

using model chemistry: B1B95/6-311G**

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	-0.420
2	H	0.180
3	H	0.172
4	C	-0.238
5	H	0.143
6	H	0.152
7	C	-0.247
8	H	0.149
9	C	-0.130
10	H	0.118
11	S	0.122

	x	y	z	Total
	-1.625	-0.364	0.232	1.681
CHELPG
AIM
ESP

	x	y	z
x	10.822	0.127	-0.176
y	0.127	9.019	0.094
z	-0.176	0.094	5.685

<r²>	126.482
(<r²>)^1/2	11.246

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

using model chemistry: B1B95/6-311G**

States and conformations

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