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	hartrees
Energy at 0K	-2552.081143
Energy at 298.15K	-2552.083645
HF Energy	-2551.355095
Nuclear repulsion energy	312.151020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3364	3364	2.42
2	A₁	3317	3317	6.71
3	A₁	1535	1535	23.08
4	A₁	1436	1436	1.42
5	A₁	1146	1146	3.85
6	A₁	1065	1065	0.94
7	A₁	786	786	23.07
8	A₁	466	466	0.30
9	A₂	924	924	0.00
10	A₂	728	728	0.00
11	A₂	549	549	0.00
12	B₁	925	925	0.45
13	B₁	745	745	108.34
14	B₁	404	404	1.61
15	B₂	3362	3362	1.61
16	B₂	3303	3303	4.88
17	B₂	1638	1638	0.11
18	B₂	1325	1325	20.22
19	B₂	1147	1147	0.18
20	B₂	856	856	0.70
21	B₂	646	646	0.16

Atom	y (Å)	z (Å)
Se1	0.000	0.909
C2	1.284	-0.437
C3	-1.284	-0.437
C4	0.718	-1.674
C5	-0.718	-1.674
H6	2.333	-0.207
H7	-2.333	-0.207
H8	1.301	-2.580
H9	-1.301	-2.580

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8601	1.8601	2.6803	2.6803	2.5856	2.5856	3.7238	3.7238
C2	1.8601		2.5673	1.3597	2.3524	1.0741	3.6237	2.1431	3.3574
C3	1.8601	2.5673		2.3524	1.3597	3.6237	1.0741	3.3574	2.1431
C4	2.6803	1.3597	2.3524		1.4354	2.1818	3.3848	1.0781	2.2129
C5	2.6803	2.3524	1.3597	1.4354		3.3848	2.1818	2.2129	1.0781
H6	2.5856	1.0741	3.6237	2.1818	3.3848		4.6653	2.5882	4.3402
H7	2.5856	3.6237	1.0741	3.3848	2.1818	4.6653		4.3402	2.5882
H8	3.7238	2.1431	3.3574	1.0781	2.2129	2.5882	4.3402		2.6018
H9	3.7238	3.3574	2.1431	2.2129	1.0781	4.3402	2.5882	2.6018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.765	Se1	C2	H6	121.235
Se1	C3	C5	111.765	Se1	C3	H7	121.235
C2	Se1	C3	87.277	C2	C4	C5	114.596
C2	C4	H8	122.653	C3	C5	C4	114.596
C3	C5	H9	122.653	C4	C2	H6	127.000
C4	C5	H9	122.750	C5	C3	H7	127.000
C5	C4	H8	122.750

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP3=FULL/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)