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	hartrees
Energy at 0K	-553.969551
Energy at 298.15K	-553.963753
HF Energy	-554.222006
Nuclear repulsion energy	216.184468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3229	3116	7.53
2	A	3195	3083	1.77
3	A	3134	3025	9.81
4	A	3072	2965	37.76
5	A	3056	2949	7.43
6	A	2997	2892	37.53
7	A	1649	1592	11.25
8	A	1489	1437	0.70
9	A	1474	1422	1.02
10	A	1339	1292	0.29
11	A	1322	1275	3.97
12	A	1278	1233	14.36
13	A	1201	1159	1.90
14	A	1142	1102	0.71
15	A	1121	1081	0.60
16	A	1018	982	4.49
17	A	994	959	2.50
18	A	930	898	0.75
19	A	916	884	2.40
20	A	852	822	1.47
21	A	786	758	20.21
22	A	698	674	25.03
23	A	680	656	18.41
24	A	651	628	4.89
25	A	502	485	0.42
26	A	409	394	2.07
27	A	145	140	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.077	-1.274	0.184
H2	-0.049	-1.576	1.234
H3	0.112	-2.149	-0.439
C4	-1.401	-0.559	-0.154
H5	-2.215	-0.949	0.467
H6	-1.688	-0.745	-1.200
C7	0.117	1.282	0.072
H8	0.502	2.291	0.148
C9	-1.165	0.918	0.054
H10	-1.985	1.624	0.115
S11	1.279	-0.044	-0.079

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0929	1.0903	1.5422	2.1811	2.1886	2.5657	3.6114	2.4502	3.4702	1.8497
H2	1.0929		1.7752	2.1882	2.3818	3.0496	3.0893	4.0537	2.9756	3.9035	2.4154
H3	1.0903	1.7752		2.2129	2.7704	2.4063	3.4687	4.4948	3.3582	4.3516	2.4338
C4	1.5422	2.1882	2.2129		1.0955	1.1002	2.3968	3.4399	1.5102	2.2756	2.7302
H5	2.1811	2.3818	2.7704	1.0955		1.7600	3.2510	4.2399	2.1811	2.6067	3.6504
H6	2.1886	3.0496	2.4063	1.1002	1.7600		2.9973	3.9780	2.1475	2.7253	3.2484
C7	2.5657	3.0893	3.4687	2.3968	3.2510	2.9973		1.0822	1.3324	2.1298	1.7696
H8	3.6114	4.0537	4.4948	3.4399	4.2399	3.9780	1.0822		2.1612	2.5749	2.4706
C9	2.4502	2.9756	3.3582	1.5102	2.1811	2.1475	1.3324	2.1612		1.0839	2.6296
H10	3.4702	3.9035	4.3516	2.2756	2.6067	2.7253	2.1298	2.5749	1.0839		3.6705
S11	1.8497	2.4154	2.4338	2.7302	3.6504	3.2484	1.7696	2.4706	2.6296	3.6705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.516	C1	C4	H6	110.811
C1	C4	C9	106.481	C1	S11	C7	90.285
H2	C1	H3	108.706	H2	C1	C4	110.902
H2	C1	S11	107.804	H3	C1	C4	113.056
H3	C1	S11	109.155	C4	C1	S11	107.069
C4	C9	C7	114.885	C4	C9	H10	121.609
H5	C4	H6	106.801	H5	C4	C9	112.620
H6	C4	C9	109.659	C7	C9	H10	123.377
H8	C7	C9	126.658	H8	C7	S11	118.259
C9	C7	S11	115.073

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

using model chemistry: G4

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	-0.208
2	H	0.135
3	H	0.131
4	C	-0.232
5	H	0.113
6	H	0.118
7	C	-0.070
8	H	0.123
9	C	-0.083
10	H	0.101
11	S	-0.128

	x	y	z	Total
	-1.645	-0.335	0.201	1.691
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	128.113
(<r²>)^1/2	11.319

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

using model chemistry: G4

States and conformations

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