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	hartrees
Energy at 0K	-2541.788399
Energy at 298.15K	-2541.791075
HF Energy	-2541.411390
Nuclear repulsion energy	307.603203

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3348	3119	2.38
2	A₁	3289	3064	4.15
3	A₁	1532	1427	24.78
4	A₁	1455	1356	0.01
5	A₁	1188	1107	3.89
6	A₁	1028	958	0.48
7	A₁	791	737	24.17
8	A₁	490	456	0.30
9	A₂	1039	968	0.00
10	A₂	802	747	0.00
11	A₂	597	556	0.00
12	B₁	1025	955	5.08
13	B₁	782	728	156.55
14	B₁	421	392	0.89
15	B₂	3343	3114	1.60
16	B₂	3273	3050	4.31
17	B₂	1649	1536	0.00
18	B₂	1384	1289	20.37
19	B₂	1183	1102	1.33
20	B₂	897	836	0.93
21	B₂	632	589	0.19

Atom	y (Å)	z (Å)
Se1	0.000	0.930
C2	1.296	-0.467
C3	-1.296	-0.467
C4	0.727	-1.692
C5	-0.727	-1.692
H6	2.351	-0.255
H7	-2.351	-0.255
H8	1.305	-2.605
H9	-1.305	-2.605

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.9056	1.9056	2.7215	2.7215	2.6327	2.6327	3.7682	3.7682
C2	1.9056		2.5924	1.3516	2.3653	1.0755	3.6530	2.1382	3.3670
C3	1.9056	2.5924		2.3653	1.3516	3.6530	1.0755	3.3670	2.1382
C4	2.7215	1.3516	2.3653		1.4534	2.1685	3.3964	1.0801	2.2270
C5	2.7215	2.3653	1.3516	1.4534		3.3964	2.1685	2.2270	1.0801
H6	2.6327	1.0755	3.6530	2.1685	3.3964		4.7014	2.5718	4.3454
H7	2.6327	3.6530	1.0755	3.3964	2.1685	4.7014		4.3454	2.5718
H8	3.7682	2.1382	3.3670	1.0801	2.2270	2.5718	4.3454		2.6095
H9	3.7682	3.3670	2.1382	2.2270	1.0801	4.3454	2.5718	2.6095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	112.222	Se1	C2	H6	121.528
Se1	C3	C5	112.222	Se1	C3	H7	121.528
C2	Se1	C3	85.718	C2	C4	C5	114.918
C2	C4	H8	122.727	C3	C5	C4	114.918
C3	C5	H9	122.727	C4	C2	H6	126.250
C4	C5	H9	122.355	C5	C3	H7	126.250
C5	C4	H8	122.355

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)