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	hartrees
Energy at 0K	-552.202493
Energy at 298.15K	-552.206784
HF Energy	-551.336708
Nuclear repulsion energy	202.695034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	3107	2.35
2	A₁	3253	3081	2.62
3	A₁	1458	1381	10.60
4	A₁	1409	1335	1.53
5	A₁	1114	1055	6.39
6	A₁	1080	1023	3.18
7	A₁	883	837	27.32
8	A₁	627	594	0.00
9	A₂	820	777	0.00
10	A₂	642	608	0.00
11	A₂	522	494	0.00
12	B₁	812	769	0.00
13	B₁	702	665	160.84
14	B₁	447	424	2.52
15	B₂	3277	3104	0.20
16	B₂	3240	3069	3.65
17	B₂	1538	1457	0.10
18	B₂	1291	1222	11.04
19	B₂	1114	1055	6.28
20	B₂	906	858	0.94
21	B₂	779	738	0.53

Atom	y (Å)	z (Å)
S1	0.000	1.189
C2	1.233	0.001
C3	-1.233	0.001
C4	0.710	-1.275
C5	-0.710	-1.275
H6	2.273	0.298
H7	-2.273	0.298
H8	1.324	-2.168
H9	-1.324	-2.168

	S1	C2	C3	C4	C5	H6	H7	H8	H9
S1		1.7120	1.7120	2.5641	2.5641	2.4416	2.4416	3.6087	3.6087
C2	1.7120		2.4652	1.3789	2.3238	1.0818	3.5181	2.1708	3.3530
C3	1.7120	2.4652		2.3238	1.3789	3.5181	1.0818	3.3530	2.1708
C4	2.5641	1.3789	2.3238		1.4193	2.2173	3.3717	1.0842	2.2214
C5	2.5641	2.3238	1.3789	1.4193		3.3717	2.2173	2.2214	1.0842
H6	2.4416	1.0818	3.5181	2.2173	3.3717		4.5460	2.6416	4.3612
H7	2.4416	3.5181	1.0818	3.3717	2.2173	4.5460		4.3612	2.6416
H8	3.6087	2.1708	3.3530	1.0842	2.2214	2.6416	4.3612		2.6488
H9	3.6087	3.3530	2.1708	2.2214	1.0842	4.3612	2.6416	2.6488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	111.657	S1	C2	H6	120.143
S1	C3	C5	111.657	S1	C3	H7	120.143
C2	S1	C3	92.108	C2	C4	C5	112.289
C2	C4	H8	123.167	C3	C5	C4	112.289
C3	C5	H9	123.167	C4	C2	H6	128.200
C4	C5	H9	124.544	C5	C3	H7	128.200
C5	C4	H8	124.544

All results from a given calculation for C₄H₄S (Thiophene)

using model chemistry: MP2=FULL/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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All results from a given calculation for C4H4S (Thiophene)

using model chemistry: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₄H₄S (Thiophene)