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	hartrees
Energy at 0K	-2554.595987
Energy at 298.15K	-2554.598494
HF Energy	-2553.670522
Nuclear repulsion energy	312.373097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3281	3281	2.10
2	A₁	3240	3240	4.19
3	A₁	1491	1491	22.02
4	A₁	1403	1403	0.99
5	A₁	1117	1117	3.19
6	A₁	1043	1043	1.32
7	A₁	789	789	21.75
8	A₁	470	470	0.03
9	A₂	940	940	0.00
10	A₂	716	716	0.00
11	A₂	553	553	0.00
12	B₁	923	923	0.00
13	B₁	732	732	124.09
14	B₁	407	407	1.37
15	B₂	3279	3279	0.35
16	B₂	3226	3226	3.29
17	B₂	1596	1596	0.28
18	B₂	1296	1296	17.24
19	B₂	1121	1121	0.65
20	B₂	844	844	1.12
21	B₂	657	657	0.59

Atom	y (Å)	z (Å)
Se1	0.000	0.908
C2	1.283	-0.437
C3	-1.283	-0.437
C4	0.718	-1.672
C5	-0.718	-1.672
H6	2.333	-0.202
H7	-2.333	-0.202
H8	1.302	-2.580
H9	-1.302	-2.580

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8582	1.8582	2.6779	2.6779	2.5834	2.5834	3.7231	3.7231
C2	1.8582		2.5650	1.3584	2.3508	1.0764	3.6231	2.1435	3.3576
C3	1.8582	2.5650		2.3508	1.3584	3.6231	1.0764	3.3576	2.1435
C4	2.6779	1.3584	2.3508		1.4350	2.1843	3.3863	1.0798	2.2142
C5	2.6779	2.3508	1.3584	1.4350		3.3863	2.1843	2.2142	1.0798
H6	2.5834	1.0764	3.6231	2.1843	3.3863		4.6659	2.5922	4.3438
H7	2.5834	3.6231	1.0764	3.3863	2.1843	4.6659		4.3438	2.5922
H8	3.7231	2.1435	3.3576	1.0798	2.2142	2.5922	4.3438		2.6038
H9	3.7231	3.3576	2.1435	2.2142	1.0798	4.3438	2.5922	2.6038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.777	Se1	C2	H6	121.037
Se1	C3	C5	111.777	Se1	C3	H7	121.037
C2	Se1	C3	87.291	C2	C4	C5	114.577
C2	C4	H8	122.657	C3	C5	C4	114.577
C3	C5	H9	122.657	C4	C2	H6	127.185
C4	C5	H9	122.765	C5	C3	H7	127.185
C5	C4	H8	122.765

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD/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 C4H4Se (selenophene)

using model chemistry: CCSD/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)