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	hartrees
Energy at 0K	-553.852270
Energy at 298.15K	-553.859166
HF Energy	-553.639921
Nuclear repulsion energy	216.337526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3274	3107	8.27
2	A	3241	3076	2.50
3	A	3182	3021	10.87
4	A	3122	2964	38.71
5	A	3108	2951	7.43
6	A	3050	2895	36.74
7	A	1660	1575	9.74
8	A	1540	1461	0.77
9	A	1522	1445	1.44
10	A	1374	1304	0.40
11	A	1358	1289	4.05
12	A	1313	1247	16.78
13	A	1233	1170	1.88
14	A	1174	1115	0.40
15	A	1145	1087	1.15
16	A	1045	992	4.98
17	A	1020	968	2.72
18	A	936	889	2.34
19	A	920	873	1.20
20	A	879	835	1.49
21	A	804	763	20.73
22	A	706	670	15.19
23	A	686	652	28.06
24	A	659	625	13.04
25	A	508	482	0.54
26	A	409	388	2.52
27	A	164	156	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.085	-1.219	0.339
H2	-0.182	-1.231	1.427
H3	0.107	-2.228	-0.030
C4	-1.306	-0.562	-0.302
H5	-2.260	-1.034	-0.058
H6	-1.143	-0.627	-1.387
C7	0.098	1.269	0.077
H8	0.406	2.266	0.206
C9	-1.179	0.853	0.096
H10	-1.977	1.460	0.413
S11	1.243	-0.041	-0.114

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0931	1.0912	1.5273	2.2181	2.1089	2.5089	3.5221	2.3562	3.2811	1.8327
H2	1.0931		1.7894	2.1679	2.5613	3.0343	2.8555	3.7505	2.6665	3.3901	2.4137
H3	1.0912	1.7894		2.2017	2.6514	2.4433	3.4991	4.5102	3.3418	4.2599	2.4664
C4	1.5273	2.1679	2.2017		1.0911	1.0990	2.3384	3.3446	1.4760	2.2476	2.6087
H5	2.2181	2.5613	2.6514	1.0911		1.7821	3.2981	4.2497	2.1800	2.5537	3.6410
H6	2.1089	3.0343	2.4433	1.0990	1.7821		2.6975	3.6475	2.0956	2.8793	2.7672
C7	2.5089	2.8555	3.4991	2.3384	3.2981	2.6975		1.0512	1.3429	2.1106	1.7503
H8	3.5221	3.7505	4.5102	3.3446	4.2497	3.6475	1.0512		2.1257	2.5239	2.4744
C9	2.3562	2.6665	3.3418	1.4760	2.1800	2.0956	1.3429	2.1257		1.0515	2.5903
H10	3.2811	3.3901	4.2599	2.2476	2.5537	2.8793	2.1106	2.5239	1.0515		3.5916
S11	1.8327	2.4137	2.4664	2.6087	3.6410	2.7672	1.7503	2.4744	2.5903	3.5916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	114.775	C1	C4	H6	105.676
C1	C4	C9	103.343	C1	S11	C7	88.862
H2	C1	H3	110.006	H2	C1	C4	110.551
H2	C1	S11	108.514	H3	C1	C4	113.408
H3	C1	S11	112.545	C4	C1	S11	101.476
C4	C9	C7	112.018	C4	C9	H10	124.710
H5	C4	H6	108.924	H5	C4	C9	115.434
H6	C4	C9	108.050	C7	C9	H10	123.185
H8	C7	C9	124.780	H8	C7	S11	122.081
C9	C7	S11	113.081

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

using model chemistry: B2PLYP/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	-0.450
2	H	0.191
3	H	0.187
4	C	-0.313
5	H	0.165
6	H	0.171
7	C	-0.320
8	H	0.192
9	C	-0.125
10	H	0.165
11	S	0.136

	x	y	z
x	9.911	0.142	-0.121
y	0.142	8.391	0.126
z	-0.121	0.126	5.262

<r²>	127.992
(<r²>)^1/2	11.313

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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