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	hartrees
Energy at 0K	-2555.891396
Energy at 298.15K	-2555.893756
HF Energy	-2555.590204
Nuclear repulsion energy	311.191587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3273	3123	1.80
2	A₁	3228	3080	4.96
3	A₁	1462	1395	17.10
4	A₁	1385	1321	3.54
5	A₁	1115	1064	3.53
6	A₁	1044	996	2.69
7	A₁	774	738	22.30
8	A₁	462	441	0.09
9	A₂	833	795	0.00
10	A₂	665	634	0.00
11	A₂	505	482	0.00
12	B₁	856	817	0.01
13	B₁	701	669	139.20
14	B₁	397	379	2.55
15	B₂	3271	3121	0.16
16	B₂	3214	3067	3.65
17	B₂	1559	1488	0.34
18	B₂	1284	1225	22.44
19	B₂	1116	1065	1.61
20	B₂	844	805	1.13
21	B₂	628	600	0.79

Atom	y (Å)	z (Å)
Se1	0.000	0.913
C2	1.288	-0.444
C3	-1.288	-0.444
C4	0.713	-1.678
C5	-0.713	-1.678
H6	2.339	-0.206
H7	-2.339	-0.206
H8	1.298	-2.587
H9	-1.298	-2.587

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8706	1.8706	2.6874	2.6874	2.5929	2.5929	3.7332	3.7332
C2	1.8706		2.5759	1.3616	2.3514	1.0772	3.6344	2.1438	3.3589
C3	1.8706	2.5759		2.3514	1.3616	3.6344	1.0772	3.3589	2.1438
C4	2.6874	1.3616	2.3514		1.4268	2.1925	3.3884	1.0810	2.2073
C5	2.6874	2.3514	1.3616	1.4268		3.3884	2.1925	2.2073	1.0810
H6	2.5929	1.0772	3.6344	2.1925	3.3884		4.6775	2.5985	4.3467
H7	2.5929	3.6344	1.0772	3.3884	2.1925	4.6775		4.3467	2.5985
H8	3.7332	2.1438	3.3589	1.0810	2.2073	2.5985	4.3467		2.5956
H9	3.7332	3.3589	2.1438	2.2073	1.0810	4.3467	2.5985	2.5956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.528	Se1	C2	H6	120.794
Se1	C3	C5	111.528	Se1	C3	H7	120.794
C2	Se1	C3	87.026	C2	C4	C5	114.960
C2	C4	H8	122.313	C3	C5	C4	114.960
C3	C5	H9	122.313	C4	C2	H6	127.678
C4	C5	H9	122.727	C5	C3	H7	127.678
C5	C4	H8	122.727

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: B2PLYP=FULL/TZVP

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: B2PLYP=FULL/TZVP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)