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	hartrees
Energy at 0K	-552.542488
Energy at 298.15K	-552.549669
HF Energy	-552.542488
Nuclear repulsion energy	218.109941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3370	3055	9.18
2	A	3332	3021	3.91
3	A	3265	2959	17.95
4	A	3213	2912	57.67
5	A	3194	2895	9.50
6	A	3149	2855	44.76
7	A	1790	1622	11.12
8	A	1620	1468	0.68
9	A	1600	1450	2.24
10	A	1471	1333	0.41
11	A	1445	1310	3.02
12	A	1400	1269	15.23
13	A	1318	1194	2.58
14	A	1247	1130	1.65
15	A	1216	1102	0.47
16	A	1109	1005	5.74
17	A	1066	966	2.85
18	A	1058	959	2.80
19	A	970	879	2.55
20	A	926	839	1.55
21	A	853	773	21.10
22	A	770	698	48.80
23	A	748	678	12.51
24	A	707	641	4.86
25	A	545	494	0.42
26	A	443	401	1.51
27	A	167	151	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.049	-1.266	0.199
H2	-0.032	-1.526	1.247
H3	0.151	-2.150	-0.386
C4	-1.369	-0.580	-0.166
H5	-2.181	-0.982	0.428
H6	-1.618	-0.760	-1.208
C7	0.091	1.279	0.078
H8	0.440	2.287	0.169
C9	-1.163	0.897	0.054
H10	-1.981	1.585	0.124
S11	1.260	-0.027	-0.085

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0799	1.0785	1.5308	2.1623	2.1666	2.5521	3.5866	2.4369	3.4447	1.8248
H2	1.0799		1.7569	2.1621	2.3626	3.0207	3.0418	3.9907	2.9278	3.8392	2.3857
H3	1.0785	1.7569		2.1957	2.7316	2.3950	3.4613	4.4810	3.3471	4.3310	2.4142
C4	1.5308	2.1621	2.1957		1.0830	1.0865	2.3767	3.4064	1.5077	2.2692	2.6873
H5	2.1623	2.3626	2.7316	1.0830		1.7441	3.2245	4.1976	2.1696	2.5932	3.6073
H6	2.1666	3.0207	2.3950	1.0865	1.7441		2.9549	3.9256	2.1318	2.7214	3.1744
C7	2.5521	3.0418	3.4613	2.3767	3.2245	2.9549		1.0701	1.3109	2.0947	1.7605
H8	3.5866	3.9907	4.4810	3.4064	4.1976	3.9256	1.0701		2.1242	2.5203	2.4682
C9	2.4369	2.9278	3.3471	1.5077	2.1696	2.1318	1.3109	2.1242		1.0715	2.5964
H10	3.4447	3.8392	4.3310	2.2692	2.5932	2.7214	2.0947	2.5203	1.0715		3.6256
S11	1.8248	2.3857	2.4142	2.6873	3.6073	3.1744	1.7605	2.4682	2.5964	3.6256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.468	C1	C4	H6	110.593
C1	C4	C9	106.643	C1	S11	C7	90.749
H2	C1	H3	108.975	H2	C1	C4	110.638
H2	C1	S11	107.664	H3	C1	C4	113.462
H3	C1	S11	109.831	C4	C1	S11	106.091
C4	C9	C7	114.784	C4	C9	H10	122.324
H5	C4	H6	107.011	H5	C4	C9	112.713
H6	C4	C9	109.445	C7	C9	H10	122.788
H8	C7	C9	125.994	H8	C7	S11	119.367
C9	C7	S11	114.630

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

using model chemistry: HF/Def2TZVPP

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	-0.095
2	H	0.066
3	H	0.077
4	C	0.002
5	H	0.053
6	H	0.047
7	C	-0.056
8	H	0.087
9	C	-0.216
10	H	0.075
11	S	-0.040

	x	y	z	Total
	-1.777	-0.360	0.193	1.823
CHELPG
AIM
ESP

	x	y	z
x	10.784	0.237	-0.099
y	0.237	9.151	0.027
z	-0.099	0.027	6.512

<r²>	126.722
(<r²>)^1/2	11.257

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

using model chemistry: HF/Def2TZVPP

States and conformations

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