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	hartrees
Energy at 0K	-552.007219
Energy at 298.15K	-552.011499
HF Energy	-551.336561
Nuclear repulsion energy	202.518093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3114	2.37
2	A₁	3250	3089	2.73
3	A₁	1454	1382	10.37
4	A₁	1407	1337	1.69
5	A₁	1113	1057	6.43
6	A₁	1078	1025	3.09
7	A₁	881	838	27.30
8	A₁	626	595	0.00
9	A₂	817	776	0.00
10	A₂	640	608	0.00
11	A₂	519	493	0.00
12	B₁	809	768	0.00
13	B₁	701	666	160.64
14	B₁	446	424	2.49
15	B₂	3275	3112	0.24
16	B₂	3237	3076	3.70
17	B₂	1534	1458	0.10
18	B₂	1289	1225	11.03
19	B₂	1113	1058	6.23
20	B₂	904	859	0.89
21	B₂	777	738	0.50

Atom	y (Å)	z (Å)
S1	0.000	1.198
C2	1.232	-0.005
C3	-1.232	-0.005
C4	0.714	-1.278
C5	-0.714	-1.278
H6	2.273	0.293
H7	-2.273	0.293
H8	1.322	-2.177
H9	-1.322	-2.177

	S1	C2	C3	C4	C5	H6	H7	H8	H9
S1		1.7217	1.7217	2.5769	2.5769	2.4467	2.4467	3.6247	3.6247
C2	1.7217		2.4639	1.3743	2.3258	1.0828	3.5177	2.1741	3.3528
C3	1.7217	2.4639		2.3258	1.3743	3.5177	1.0828	3.3528	2.1741
C4	2.5769	1.3743	2.3258		1.4288	2.2128	3.3752	1.0852	2.2260
C5	2.5769	2.3258	1.3743	1.4288		3.3752	2.2128	2.2260	1.0852
H6	2.4467	1.0828	3.5177	2.2128	3.3752		4.5462	2.6467	4.3617
H7	2.4467	3.5177	1.0828	3.3752	2.2128	4.5462		4.3617	2.6467
H8	3.6247	2.1741	3.3528	1.0852	2.2260	2.6467	4.3617		2.6439
H9	3.6247	3.3528	2.1741	2.2260	1.0852	4.3617	2.6467	2.6439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	112.190	S1	C2	H6	119.736
S1	C3	C5	112.190	S1	C3	H7	119.736
C2	S1	C3	91.374	C2	C4	C5	112.123
C2	C4	H8	123.832	C3	C5	C4	112.123
C3	C5	H9	123.832	C4	C2	H6	128.074
C4	C5	H9	124.045	C5	C3	H7	128.074
C5	C4	H8	124.045

All results from a given calculation for C₄H₄S (Thiophene)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for C₄H₄S (Thiophene)