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	hartrees
Energy at 0K	-2554.296557
Energy at 298.15K	-2554.298957
HF Energy	-2553.596648
Nuclear repulsion energy	310.348883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3140	2.19
2	A₁	3241	3108	2.94
3	A₁	1443	1384	11.51
4	A₁	1354	1299	6.51
5	A₁	1083	1039	1.55
6	A₁	1041	999	4.72
7	A₁	789	757	20.17
8	A₁	465	446	0.00
9	A₂	871	835	0.00
10	A₂	654	627	0.00
11	A₂	539	517	0.00
12	B₁	845	810	0.83
13	B₁	704	675	132.29
14	B₁	400	383	3.21
15	B₂	3271	3137	0.03
16	B₂	3226	3094	2.71
17	B₂	1503	1441	0.75
18	B₂	1251	1200	18.89
19	B₂	1077	1033	1.25
20	B₂	829	795	0.57
21	B₂	652	625	1.01

Atom	y (Å)	z (Å)
Se1	0.000	0.912
C2	1.291	-0.427
C3	-1.291	-0.427
C4	0.715	-1.692
C5	-0.715	-1.692
H6	2.354	-0.182
H7	-2.354	-0.182
H8	1.316	-2.604
H9	-1.316	-2.604

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8601	1.8601	2.6996	2.6996	2.5960	2.5960	3.7544	3.7544
C2	1.8601		2.5827	1.3898	2.3713	1.0906	3.6538	2.1774	3.3971
C3	1.8601	2.5827		2.3713	1.3898	3.6538	1.0906	3.3971	2.1774
C4	2.6996	1.3898	2.3713		1.4293	2.2284	3.4199	1.0932	2.2266
C5	2.6996	2.3713	1.3898	1.4293		3.4199	2.2284	2.2266	1.0932
H6	2.5960	1.0906	3.6538	2.2284	3.4199		4.7084	2.6350	4.3975
H7	2.5960	3.6538	1.0906	3.4199	2.2284	4.7084		4.3975	2.6350
H8	3.7544	2.1774	3.3971	1.0932	2.2266	2.6350	4.3975		2.6326
H9	3.7544	3.3971	2.1774	2.2266	1.0932	4.3975	2.6350	2.6326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.516	Se1	C2	H6	121.000
Se1	C3	C5	111.516	Se1	C3	H7	121.000
C2	Se1	C3	87.934	C2	C4	C5	114.517
C2	C4	H8	122.094	C3	C5	C4	114.517
C3	C5	H9	122.094	C4	C2	H6	127.484
C4	C5	H9	123.389	C5	C3	H7	127.484
C5	C4	H8	123.389

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)