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	hartrees
Energy at 0K	-2542.125493
Energy at 298.15K	-2542.127908
HF Energy	-2541.604496
Nuclear repulsion energy	306.658922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3229	3104	4.07
2	A₁	3186	3062	3.94
3	A₁	1447	1390	17.22
4	A₁	1397	1343	0.14
5	A₁	1155	1110	3.52
6	A₁	994	956	0.38
7	A₁	766	736	22.29
8	A₁	465	447	0.39
9	A₂	887	853	0.00
10	A₂	711	683	0.00
11	A₂	540	519	0.00
12	B₁	895	860	0.10
13	B₁	711	684	128.01
14	B₁	393	378	1.03
15	B₂	3225	3100	2.75
16	B₂	3170	3047	3.78
17	B₂	1562	1501	0.09
18	B₂	1318	1266	22.30
19	B₂	1148	1104	0.54
20	B₂	866	833	0.33
21	B₂	625	601	0.09

Atom	y (Å)	z (Å)
Se1	0.000	0.929
C2	1.304	-0.458
C3	-1.304	-0.458
C4	0.730	-1.701
C5	-0.730	-1.701
H6	2.362	-0.217
H7	-2.362	-0.217
H8	1.313	-2.619
H9	-1.313	-2.619

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.9038	1.9038	2.7290	2.7290	2.6253	2.6253	3.7834	3.7834
C2	1.9038		2.6082	1.3685	2.3838	1.0848	3.6738	2.1613	3.3942
C3	1.9038	2.6082		2.3838	1.3685	3.6738	1.0848	3.3942	2.1613
C4	2.7290	1.3685	2.3838		1.4607	2.2049	3.4295	1.0880	2.2404
C5	2.7290	2.3838	1.3685	1.4607		3.4295	2.2049	2.2404	1.0880
H6	2.6253	1.0848	3.6738	2.2049	3.4295		4.7237	2.6210	4.3902
H7	2.6253	3.6738	1.0848	3.4295	2.2049	4.7237		4.3902	2.6210
H8	3.7834	2.1613	3.3942	1.0880	2.2404	2.6210	4.3902		2.6260
H9	3.7834	3.3942	2.1613	2.2404	1.0880	4.3902	2.6210	2.6260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.978	Se1	C2	H6	120.414
Se1	C3	C5	111.978	Se1	C3	H7	120.414
C2	Se1	C3	86.470	C2	C4	C5	114.787
C2	C4	H8	122.833	C3	C5	C4	114.787
C3	C5	H9	122.833	C4	C2	H6	127.608
C4	C5	H9	122.380	C5	C3	H7	127.608
C5	C4	H8	122.380

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)