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	hartrees
Energy at 0K	-554.225097
Energy at 298.15K	-554.232019
Nuclear repulsion energy	217.390517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	3102	9.40
2	A	3218	3072	3.05
3	A	3161	3017	13.16
4	A	3102	2960	42.65
5	A	3084	2943	13.26
6	A	3025	2887	43.92
7	A	1667	1591	13.60
8	A	1506	1437	2.02
9	A	1488	1420	3.52
10	A	1360	1298	0.76
11	A	1343	1282	4.21
12	A	1298	1239	20.22
13	A	1221	1166	2.77
14	A	1167	1114	0.38
15	A	1130	1078	1.45
16	A	1035	988	7.16
17	A	1013	967	4.57
18	A	938	895	3.48
19	A	921	879	0.99
20	A	873	833	2.57
21	A	802	766	26.63
22	A	702	670	13.30
23	A	684	653	34.39
24	A	658	628	25.58
25	A	506	483	0.92
26	A	412	394	2.73
27	A	173	165	1.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.069	-1.256	0.212
H2	-0.060	-1.499	1.276
H3	0.132	-2.160	-0.360
C4	-1.379	-0.569	-0.177
H5	-2.214	-0.979	0.396
H6	-1.608	-0.739	-1.238
C7	0.106	1.275	0.082
H8	0.480	2.286	0.169
C9	-1.170	0.901	0.061
H10	-1.993	1.601	0.127
S11	1.271	-0.039	-0.090

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0914	1.0886	1.5294	2.1707	2.1765	2.5398	3.5843	2.4260	3.4456	1.8355
H2	1.0914		1.7746	2.1720	2.3845	3.0487	3.0246	3.9806	2.9102	3.8303	2.4020
H3	1.0886	1.7746		2.2018	2.7335	2.4118	3.4628	4.4906	3.3527	4.3476	2.4227
C4	1.5294	2.1720	2.2018		1.0931	1.0984	2.3819	3.4246	1.5038	2.2762	2.7044
H5	2.1707	2.3845	2.7335	1.0931		1.7601	3.2504	4.2394	2.1768	2.6039	3.6428
H6	2.1765	3.0487	2.4118	1.0984	1.7601		2.9555	3.9356	2.1374	2.7369	3.1777
C7	2.5398	3.0246	3.4628	2.3819	3.2504	2.9555		1.0816	1.3301	2.1256	1.7638
H8	3.5843	3.9806	4.4906	3.4246	4.2394	3.9356	1.0816		2.1569	2.5666	2.4693
C9	2.4260	2.9102	3.3527	1.5038	2.1768	2.1374	1.3301	2.1569		1.0831	2.6200
H10	3.4456	3.8303	4.3476	2.2762	2.6039	2.7369	2.1256	2.5666	1.0831		3.6598
S11	1.8355	2.4020	2.4227	2.7044	3.6428	3.1777	1.7638	2.4693	2.6200	3.6598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.629	C1	C4	H6	110.772
C1	C4	C9	106.220	C1	S11	C7	89.741
H2	C1	H3	108.986	H2	C1	C4	110.838
H2	C1	S11	107.568	H3	C1	C4	113.426
H3	C1	S11	109.215	C4	C1	S11	106.617
C4	C9	C7	114.247	C4	C9	H10	122.415
H5	C4	H6	106.859	H5	C4	C9	112.947
H6	C4	C9	109.460	C7	C9	H10	123.155
H8	C7	C9	126.533	H8	C7	S11	118.429
C9	C7	S11	115.022

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

using model chemistry: mPW1PW91/6-311G*

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	-0.605
2	H	0.262
3	H	0.260
4	C	-0.447
5	H	0.236
6	H	0.239
7	C	-0.349
8	H	0.244
9	C	-0.200
10	H	0.212
11	S	0.148

	x	y	z	Total
	-1.685	-0.366	0.226	1.739
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>	127.011
(<r²>)^1/2	11.270

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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