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	hartrees
Energy at 0K	-2541.832506
Energy at 298.15K	-2541.835067
HF Energy	-2541.408978
Nuclear repulsion energy	306.436737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3151	1.91
2	A₁	3243	3096	4.01
3	A₁	1428	1363	10.38
4	A₁	1413	1349	13.45
5	A₁	1162	1110	5.90
6	A₁	1025	978	1.08
7	A₁	779	744	22.75
8	A₁	479	457	0.24
9	A₂	965	922	0.00
10	A₂	748	715	0.00
11	A₂	588	561	0.00
12	B₁	949	906	4.74
13	B₁	749	715	152.86
14	B₁	414	396	1.87
15	B₂	3296	3147	0.85
16	B₂	3227	3082	3.31
17	B₂	1543	1473	0.16
18	B₂	1346	1285	22.08
19	B₂	1152	1100	1.86
20	B₂	876	836	0.46
21	B₂	615	588	0.20

Atom	y (Å)	z (Å)
Se1	0.000	0.933
C2	1.302	-0.462
C3	-1.302	-0.462
C4	0.722	-1.705
C5	-0.722	-1.705
H6	2.360	-0.246
H7	-2.360	-0.246
H8	1.309	-2.616
H9	-1.309	-2.616

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.9081	1.9081	2.7349	2.7349	2.6379	2.6379	3.7831	3.7831
C2	1.9081		2.6041	1.3716	2.3756	1.0793	3.6681	2.1545	3.3855
C3	1.9081	2.6041		2.3756	1.3716	3.6681	1.0793	3.3855	2.1545
C4	2.7349	1.3716	2.3756		1.4447	2.1928	3.4097	1.0841	2.2268
C5	2.7349	2.3756	1.3716	1.4447		3.4097	2.1928	2.2268	1.0841
H6	2.6379	1.0793	3.6681	2.1928	3.4097		4.7193	2.5924	4.3679
H7	2.6379	3.6681	1.0793	3.4097	2.1928	4.7193		4.3679	2.5924
H8	3.7831	2.1545	3.3855	1.0841	2.2268	2.5924	4.3679		2.6187
H9	3.7831	3.3855	2.1545	2.2268	1.0841	4.3679	2.5924	2.6187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.967	Se1	C2	H6	121.509
Se1	C3	C5	111.967	Se1	C3	H7	121.509
C2	Se1	C3	86.061	C2	C4	C5	115.003
C2	C4	H8	122.217	C3	C5	C4	115.003
C3	C5	H9	122.217	C4	C2	H6	126.525
C4	C5	H9	122.780	C5	C3	H7	126.525
C5	C4	H8	122.780

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)