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	hartrees
Energy at 0K	-2554.598003
Energy at 298.15K	-2554.600504
HF Energy	-2553.670486
Nuclear repulsion energy	312.244007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3279	2.15
2	A₁	3238	3238	4.24
3	A₁	1491	1491	21.39
4	A₁	1401	1401	0.85
5	A₁	1116	1116	3.11
6	A₁	1042	1042	1.36
7	A₁	787	787	20.99
8	A₁	469	469	0.03
9	A₂	939	939	0.00
10	A₂	714	714	0.00
11	A₂	552	552	0.00
12	B₁	921	921	0.00
13	B₁	731	731	124.09
14	B₁	406	406	1.37
15	B₂	3276	3276	0.38
16	B₂	3223	3223	3.44
17	B₂	1594	1594	0.32
18	B₂	1295	1295	17.35
19	B₂	1120	1120	0.67
20	B₂	843	843	1.14
21	B₂	655	655	0.58

Atom	y (Å)	z (Å)
Se1	0.000	0.908
C2	1.283	-0.437
C3	-1.283	-0.437
C4	0.718	-1.673
C5	-0.718	-1.673
H6	2.334	-0.202
H7	-2.334	-0.202
H8	1.302	-2.581
H9	-1.302	-2.581

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8593	1.8593	2.6789	2.6789	2.5842	2.5842	3.7243	3.7243
C2	1.8593		2.5663	1.3587	2.3516	1.0766	3.6244	2.1438	3.3584
C3	1.8593	2.5663		2.3516	1.3587	3.6244	1.0766	3.3584	2.1438
C4	2.6789	1.3587	2.3516		1.4355	2.1851	3.3874	1.0800	2.2146
C5	2.6789	2.3516	1.3587	1.4355		3.3874	2.1851	2.2146	1.0800
H6	2.5842	1.0766	3.6244	2.1851	3.3874		4.6673	2.5932	4.3450
H7	2.5842	3.6244	1.0766	3.3874	2.1851	4.6673		4.3450	2.5932
H8	3.7243	2.1438	3.3584	1.0800	2.2146	2.5932	4.3450		2.6041
H9	3.7243	3.3584	2.1438	2.2146	1.0800	4.3450	2.5932	2.6041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.768	Se1	C2	H6	121.007
Se1	C3	C5	111.768	Se1	C3	H7	121.007
C2	Se1	C3	87.282	C2	C4	C5	114.591
C2	C4	H8	122.656	C3	C5	C4	114.591
C3	C5	H9	122.656	C4	C2	H6	127.225
C4	C5	H9	122.753	C5	C3	H7	127.225
C5	C4	H8	122.753

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD/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: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)