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	hartrees
Energy at 0K	-2554.909137
Energy at 298.15K	-2554.911662
HF Energy	-2553.626914
Nuclear repulsion energy	313.226398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3311	3311	1.80
2	A₁	3270	3270	3.27
3	A₁	1496	1496	23.83
4	A₁	1406	1406	2.06
5	A₁	1116	1116	3.36
6	A₁	1050	1050	1.56
7	A₁	795	795	23.35
8	A₁	473	473	0.04
9	A₂	944	944	0.00
10	A₂	716	716	0.00
11	A₂	551	551	0.00
12	B₁	925	925	0.00
13	B₁	727	727	124.94
14	B₁	408	408	1.93
15	B₂	3308	3308	0.07
16	B₂	3255	3255	2.79
17	B₂	1598	1598	0.59
18	B₂	1298	1298	16.69
19	B₂	1120	1120	0.79
20	B₂	844	844	0.92
21	B₂	661	661	0.70

Atom	y (Å)	z (Å)
Se1	0.000	0.905
C2	1.280	-0.434
C3	-1.280	-0.434
C4	0.715	-1.668
C5	-0.715	-1.668
H6	2.329	-0.200
H7	-2.329	-0.200
H8	1.300	-2.573
H9	-1.300	-2.573

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8521	1.8521	2.6699	2.6699	2.5777	2.5777	3.7128	3.7128
C2	1.8521		2.5601	1.3569	2.3459	1.0744	3.6163	2.1393	3.3515
C3	1.8521	2.5601		2.3459	1.3569	3.6163	1.0744	3.3515	2.1393
C4	2.6699	1.3569	2.3459		1.4304	2.1809	3.3791	1.0778	2.2093
C5	2.6699	2.3459	1.3569	1.4304		3.3791	2.1809	2.2093	1.0778
H6	2.5777	1.0744	3.6163	2.1809	3.3791		4.6575	2.5860	4.3356
H7	2.5777	3.6163	1.0744	3.3791	2.1809	4.6575		4.3356	2.5860
H8	3.7128	2.1393	3.3515	1.0778	2.2093	2.5860	4.3356		2.6000
H9	3.7128	3.3515	2.1393	2.2093	1.0778	4.3356	2.5860	2.6000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.683	Se1	C2	H6	121.170
Se1	C3	C5	111.683	Se1	C3	H7	121.170
C2	Se1	C3	87.438	C2	C4	C5	114.598
C2	C4	H8	122.542	C3	C5	C4	114.598
C3	C5	H9	122.542	C4	C2	H6	127.147
C4	C5	H9	122.860	C5	C3	H7	127.147
C5	C4	H8	122.860

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP3=FULL/6-311+G(3df,2p)

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: MP3=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)