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	hartrees
Energy at 0K	-552.192314
Energy at 298.15K	-552.196720
HF Energy	-551.378830
Nuclear repulsion energy	203.432814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3129	1.73
2	A₁	3259	3101	1.04
3	A₁	1449	1379	4.94
4	A₁	1389	1321	1.04
5	A₁	1098	1044	2.59
6	A₁	1075	1023	4.41
7	A₁	879	836	19.87
8	A₁	619	589	0.03
9	A₂	902	858	0.00
10	A₂	677	644	0.00
11	A₂	577	549	0.00
12	B₁	865	823	0.00
13	B₁	734	698	130.61
14	B₁	467	444	1.58
15	B₂	3286	3127	0.27
16	B₂	3246	3088	2.52
17	B₂	1517	1443	0.01
18	B₂	1277	1215	10.16
19	B₂	1098	1045	4.48
20	B₂	898	854	0.87
21	B₂	774	737	0.43

Atom	y (Å)	z (Å)
S1	0.000	1.191
C2	1.230	-0.003
C3	-1.230	-0.003
C4	0.711	-1.272
C5	-0.711	-1.272
H6	2.266	0.292
H7	-2.266	0.292
H8	1.314	-2.167
H9	-1.314	-2.167

	S1	C2	C3	C4	C5	H6	H7	H8	H9
S1		1.7141	1.7141	2.5635	2.5635	2.4375	2.4375	3.6063	3.6063
C2	1.7141		2.4592	1.3705	2.3186	1.0774	3.5077	2.1657	3.3397
C3	1.7141	2.4592		2.3186	1.3705	3.5077	1.0774	3.3397	2.1657
C4	2.5635	1.3705	2.3186		1.4223	2.2051	3.3627	1.0796	2.2144
C5	2.5635	2.3186	1.3705	1.4223		3.3627	2.2051	2.2144	1.0796
H6	2.4375	1.0774	3.5077	2.2051	3.3627		4.5313	2.6371	4.3433
H7	2.4375	3.5077	1.0774	3.3627	2.2051	4.5313		4.3433	2.6371
H8	3.6063	2.1657	3.3397	1.0796	2.2144	2.6371	4.3433		2.6284
H9	3.6063	3.3397	2.1657	2.2144	1.0796	4.3433	2.6371	2.6284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	111.938	S1	C2	H6	119.921
S1	C3	C5	111.938	S1	C3	H7	119.921
C2	S1	C3	91.667	C2	C4	C5	112.228
C2	C4	H8	123.813	C3	C5	C4	112.228
C3	C5	H9	123.813	C4	C2	H6	128.141
C4	C5	H9	123.959	C5	C3	H7	128.141
C5	C4	H8	123.959

All results from a given calculation for C₄H₄S (Thiophene)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₄S (Thiophene)