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	hartrees
Energy at 0K	-2552.066059
Energy at 298.15K	-2552.068543
HF Energy	-2551.388505
Nuclear repulsion energy	311.718703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3329	3137	2.42
2	A₁	3287	3098	6.50
3	A₁	1512	1425	25.20
4	A₁	1427	1345	2.18
5	A₁	1140	1074	4.41
6	A₁	1060	999	1.20
7	A₁	791	746	25.08
8	A₁	470	443	0.20
9	A₂	888	837	0.00
10	A₂	710	669	0.00
11	A₂	527	497	0.00
12	B₁	908	856	0.19
13	B₁	727	685	145.34
14	B₁	426	402	1.72
15	B₂	3327	3135	1.63
16	B₂	3273	3084	4.13
17	B₂	1616	1523	0.77
18	B₂	1318	1242	18.99
19	B₂	1142	1076	0.96
20	B₂	848	800	0.72
21	B₂	642	605	0.64

Atom	y (Å)	z (Å)
Se1	0.000	0.910
C2	1.283	-0.436
C3	-1.283	-0.436
C4	0.719	-1.679
C5	-0.719	-1.679
H6	2.334	-0.201
H7	-2.334	-0.201
H8	1.306	-2.587
H9	-1.306	-2.587

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8598	1.8598	2.6872	2.6872	2.5853	2.5853	3.7330	3.7330
C2	1.8598		2.5655	1.3646	2.3560	1.0777	3.6248	2.1506	3.3655
C3	1.8598	2.5655		2.3560	1.3646	3.6248	1.0777	3.3655	2.1506
C4	2.6872	1.3646	2.3560		1.4379	2.1898	3.3924	1.0811	2.2191
C5	2.6872	2.3560	1.3646	1.4379		3.3924	2.1898	2.2191	1.0811
H6	2.5853	1.0777	3.6248	2.1898	3.3924		4.6688	2.5983	4.3527
H7	2.5853	3.6248	1.0777	3.3924	2.1898	4.6688		4.3527	2.5983
H8	3.7330	2.1506	3.3655	1.0811	2.2191	2.5983	4.3527		2.6121
H9	3.7330	3.3655	2.1506	2.2191	1.0811	4.3527	2.5983	2.6121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.987	Se1	C2	H6	120.982
Se1	C3	C5	111.987	Se1	C3	H7	120.982
C2	Se1	C3	87.218	C2	C4	C5	114.404
C2	C4	H8	122.703	C3	C5	C4	114.404
C3	C5	H9	122.703	C4	C2	H6	127.032
C4	C5	H9	122.893	C5	C3	H7	127.032
C5	C4	H8	122.893

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCD/6-31+G**

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 C4H4Se (selenophene)

using model chemistry: CCD/6-31+G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)