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	hartrees
Energy at 0K	-552.197866
Energy at 298.15K	-552.204661
Nuclear repulsion energy	214.226533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3215	3150	2.52
2	A	3161	3097	1.45
3	A	3123	3060	4.70
4	A	3041	2980	24.01
5	A	3024	2963	4.33
6	A	2944	2884	30.28
7	A	1649	1615	12.75
8	A	1461	1431	5.04
9	A	1450	1420	7.50
10	A	1318	1291	3.31
11	A	1299	1272	4.14
12	A	1260	1234	17.66
13	A	1184	1160	3.14
14	A	1129	1106	0.67
15	A	1106	1084	1.05
16	A	1041	1020	5.17
17	A	994	974	2.60
18	A	937	918	5.37
19	A	905	886	2.76
20	A	855	838	2.92
21	A	772	756	23.53
22	A	684	670	44.94
23	A	660	646	30.92
24	A	629	616	3.83
25	A	490	480	0.61
26	A	407	399	3.68
27	A	158	155	1.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.110	-1.277	0.211
H2	-0.092	-1.522	1.286
H3	0.090	-2.182	-0.380
C4	-1.394	-0.556	-0.178
H5	-2.250	-0.960	0.394
H6	-1.624	-0.724	-1.253
C7	0.102	1.297	0.082
H8	0.490	2.313	0.167
C9	-1.179	0.909	0.059
H10	-2.014	1.613	0.127
S11	1.305	-0.049	-0.087

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.1028	1.0994	1.5230	2.1710	2.1779	2.5859	3.6398	2.4383	3.4616	1.8966
H2	1.1028		1.8014	2.1845	2.4019	3.0714	3.0716	4.0367	2.9320	3.8554	2.4502
H3	1.0994	1.8014		2.2101	2.7504	2.4138	3.5098	4.5459	3.3703	4.3684	2.4724
C4	1.5230	2.1845	2.2101		1.1058	1.1121	2.3961	3.4496	1.5003	2.2764	2.7473
H5	2.1710	2.4019	2.7504	1.1058		1.7777	3.2748	4.2742	2.1802	2.5972	3.7006
H6	2.1779	3.0714	2.4138	1.1121	1.7777		2.9742	3.9632	2.1421	2.7415	3.2239
C7	2.5859	3.0716	3.5098	2.3961	3.2748	2.9742		1.0906	1.3387	2.1402	1.8127
H8	3.6398	4.0367	4.5459	3.4496	4.2742	3.9632	1.0906		2.1831	2.6002	2.5114
C9	2.4383	2.9320	3.3703	1.5003	2.1802	2.1421	1.3387	2.1831		1.0940	2.6659
H10	3.4616	3.8554	4.3684	2.2764	2.5972	2.7415	2.1402	2.6002	1.0940		3.7175
S11	1.8966	2.4502	2.4724	2.7473	3.7006	3.2239	1.8127	2.5114	2.6659	3.7175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.340	C1	C4	H6	110.511
C1	C4	C9	107.509	C1	S11	C7	88.368
H2	C1	H3	109.770	H2	C1	C4	111.601
H2	C1	S11	106.533	H3	C1	C4	113.897
H3	C1	S11	108.268	C4	C1	S11	106.399
C4	C9	C7	115.010	C4	C9	H10	121.897
H5	C4	H6	106.551	H5	C4	C9	112.686
H6	C4	C9	109.263	C7	C9	H10	122.913
H8	C7	C9	127.671	H8	C7	S11	117.602
C9	C7	S11	114.714

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

using model chemistry: LSDA/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	-0.562
2	H	0.216
3	H	0.207
4	C	-0.367
5	H	0.182
6	H	0.191
7	C	-0.461
8	H	0.191
9	C	-0.035
10	H	0.164
11	S	0.273

	x	y	z	Total
	-1.976	-0.394	0.242	2.029
CHELPG
AIM
ESP

	x	y	z
x	10.239	0.134	-0.133
y	0.134	8.612	0.155
z	-0.133	0.155	5.169

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G

States and conformations

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