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	hartrees
Energy at 0K	-550.105521
Energy at 298.15K	-550.112286
HF Energy	-549.639312
Nuclear repulsion energy	210.522105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3238	3138	5.46
2	A	3177	3079	3.09
3	A	3163	3065	7.69
4	A	3098	3003	20.65
5	A	3075	2980	7.67
6	A	3028	2935	21.14
7	A	1643	1592	3.74
8	A	1556	1508	1.10
9	A	1538	1491	3.13
10	A	1367	1325	6.63
11	A	1358	1316	0.70
12	A	1324	1283	17.87
13	A	1238	1200	1.41
14	A	1186	1150	0.31
15	A	1163	1127	0.13
16	A	1021	990	2.94
17	A	981	950	2.83
18	A	953	924	2.17
19	A	888	861	3.00
20	A	851	825	1.14
21	A	766	743	15.23
22	A	703	681	55.59
23	A	652	632	8.97
24	A	599	580	2.52
25	A	486	471	0.51
26	A	396	384	1.85
27	A	134	130	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.095	-1.313	0.202
H2	-0.072	-1.584	1.262
H3	0.103	-2.184	-0.427
C4	-1.425	-0.583	-0.170
H5	-2.248	-0.965	0.451
H6	-1.674	-0.766	-1.227
C7	0.075	1.329	0.081
H8	0.431	2.348	0.178
C9	-1.201	0.921	0.049
H10	-2.046	1.603	0.115
S11	1.336	-0.036	-0.083

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0939	1.0929	1.5620	2.1950	2.1992	2.6506	3.6991	2.4975	3.5099	1.9395
H2	1.0939		1.8011	2.2092	2.4030	3.0710	3.1470	4.1097	3.0035	3.9206	2.4877
H3	1.0929	1.8011		2.2284	2.7904	2.4109	3.5503	4.5846	3.4015	4.3885	2.5011
C4	1.5620	2.2092	2.2284		1.0992	1.1018	2.4430	3.4869	1.5362	2.2906	2.8163
H5	2.1950	2.4030	2.7904	1.0992		1.7847	3.2854	4.2694	2.1942	2.5980	3.7409
H6	2.1992	3.0710	2.4109	1.1018	1.7847		3.0260	4.0128	2.1669	2.7477	3.3023
C7	2.6506	3.1470	3.5503	2.4430	3.2854	3.0260		1.0839	1.3396	2.1383	1.8660
H8	3.6991	4.1097	4.5846	3.4869	4.2694	4.0128	1.0839		2.1719	2.5873	2.5634
C9	2.4975	3.0035	3.4015	1.5362	2.1942	2.1669	1.3396	2.1719		1.0882	2.7147
H10	3.5099	3.9206	4.3885	2.2906	2.5980	2.7477	2.1383	2.5873	1.0882		3.7636
S11	1.9395	2.4877	2.5011	2.8163	3.7409	3.3023	1.8660	2.5634	2.7147	3.7636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	109.921	C1	C4	H6	110.102
C1	C4	C9	107.438	C1	S11	C7	88.275
H2	C1	H3	110.892	H2	C1	C4	111.352
H2	C1	S11	106.856	H3	C1	C4	112.955
H3	C1	S11	107.849	C4	C1	S11	106.591
C4	C9	C7	116.150	C4	C9	H10	120.621
H5	C4	H6	108.363	H5	C4	C9	111.661
H6	C4	C9	109.352	C7	C9	H10	123.143
H8	C7	C9	127.005	H8	C7	S11	118.240
C9	C7	S11	114.751

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

using model chemistry: QCISD/3-21G

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

using model chemistry: QCISD/3-21G

States and conformations

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