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	hartrees
Energy at 0K	-554.216408
Energy at 298.15K	-554.223171
Nuclear repulsion energy	216.632156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3205	3077	17.05
2	A₁	3051	2930	0.45
3	A₁	1725	1656	7.98
4	A₁	1482	1423	7.85
5	A₁	1295	1244	0.37
6	A₁	1138	1093	0.27
7	A₁	975	936	0.06
8	A₁	725	696	2.90
9	A₁	516	495	0.02
10	A₂	3089	2966	0.00
11	A₂	1151	1105	0.00
12	A₂	977	938	0.00
13	A₂	951	913	0.00
14	A₂	375	360	0.00
15	B₁	3091	2967	22.47
16	B₁	1135	1090	15.52
17	B₁	906	869	0.00
18	B₁	684	656	54.60
19	B₁	84	81	4.93
20	B₂	3181	3054	3.47
21	B₂	3052	2930	69.25
22	B₂	1476	1417	0.20
23	B₂	1360	1306	2.13
24	B₂	1256	1206	9.63
25	B₂	983	944	9.00
26	B₂	822	789	0.58
27	B₂	649	623	0.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.243
C2	0.000	1.342	0.000
C3	0.000	-1.342	0.000
C4	0.000	0.662	-1.329
C5	0.000	-0.662	-1.329
H6	-0.884	1.970	0.132
H7	0.884	1.970	0.132
H8	0.884	-1.970	0.132
H9	-0.884	-1.970	0.132
H10	0.000	1.256	-2.236
H11	0.000	-1.256	-2.236

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8291	1.8291	2.6563	2.6563	2.4285	2.4285	2.4285	2.4285	3.6990	3.6990
C2	1.8291		2.6835	1.4929	2.4049	1.0924	1.0924	3.4305	3.4305	2.2378	3.4276
C3	1.8291	2.6835		2.4049	1.4929	3.4305	3.4305	1.0924	1.0924	3.4276	2.2378
C4	2.6563	1.4929	2.4049		1.3247	2.1510	2.1510	3.1380	3.1380	1.0839	2.1219
C5	2.6563	2.4049	1.4929	1.3247		3.1380	3.1380	2.1510	2.1510	2.1219	1.0839
H6	2.4285	1.0924	3.4305	2.1510	3.1380		1.7672	4.3188	3.9407	2.6266	4.0985
H7	2.4285	1.0924	3.4305	2.1510	3.1380	1.7672		3.9407	4.3188	2.6266	4.0985
H8	2.4285	3.4305	1.0924	3.1380	2.1510	4.3188	3.9407		1.7672	4.0985	2.6266
H9	2.4285	3.4305	1.0924	3.1380	2.1510	3.9407	4.3188	1.7672		4.0985	2.6266
H10	3.6990	2.2378	3.4276	1.0839	2.1219	2.6266	2.6266	4.0985	4.0985		2.5119
H11	3.6990	3.4276	2.2378	2.1219	1.0839	4.0985	4.0985	2.6266	2.6266	2.5119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.744	S1	C2	H6	109.878
S1	C2	H7	109.878	S1	C3	C5	105.744
S1	C3	H8	109.878	S1	C3	H9	109.878
C2	S1	C3	94.369	C2	C4	C5	117.071
C2	C4	H10	119.720	C3	C5	C4	117.071
C3	C5	H11	119.720	C4	C2	H6	111.681
C4	C2	H7	111.681	C4	C5	H11	123.209
C5	C3	H8	111.681	C5	C3	H9	111.681
C5	C4	H10	123.209	H6	C2	H7	107.973
H8	C3	H9	107.973

All results from a given calculation for C₄H₆S (Thiophene, 2,5-dihydro-)

using model chemistry: B1B95/6-311G**

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	S	0.058
2	C	-0.376
3	C	-0.376
4	C	-0.121
5	C	-0.121
6	H	0.173
7	H	0.173
8	H	0.173
9	H	0.173
10	H	0.121
11	H	0.121

<r²>	127.945
(<r²>)^1/2	11.311

All results from a given calculation for C4H6S (Thiophene, 2,5-dihydro-)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for C₄H₆S (Thiophene, 2,5-dihydro-)