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	hartrees
Energy at 0K	-2554.252966
Energy at 298.15K	-2554.255319
HF Energy	-2553.590842
Nuclear repulsion energy	311.521000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3270	3107	2.94
2	A₁	3234	3074	4.81
3	A₁	1455	1383	15.43
4	A₁	1379	1311	3.90
5	A₁	1111	1056	4.64
6	A₁	1057	1004	4.05
7	A₁	792	753	22.97
8	A₁	467	443	0.03
9	A₂	821	780	0.00
10	A₂	655	622	0.00
11	A₂	517	491	0.00
12	B₁	822	781	0.15
13	B₁	700	665	150.70
14	B₁	396	376	3.87
15	B₂	3267	3105	0.50
16	B₂	3221	3061	3.89
17	B₂	1535	1459	0.00
18	B₂	1276	1212	22.48
19	B₂	1111	1056	2.33
20	B₂	846	804	0.38
21	B₂	653	621	0.74

Atom	y (Å)	z (Å)
Se1	0.000	0.909
C2	1.288	-0.431
C3	-1.288	-0.431
C4	0.712	-1.682
C5	-0.712	-1.682
H6	2.343	-0.189
H7	-2.343	-0.189
H8	1.306	-2.591
H9	-1.306	-2.591

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8583	1.8583	2.6868	2.6868	2.5880	2.5880	3.7357	3.7357
C2	1.8583		2.5754	1.3769	2.3589	1.0828	3.6390	2.1602	3.3755
C3	1.8583	2.5754		2.3589	1.3769	3.6390	1.0828	3.3755	2.1602
C4	2.6868	1.3769	2.3589		1.4245	2.2107	3.4005	1.0860	2.2137
C5	2.6868	2.3589	1.3769	1.4245		3.4005	2.2107	2.2137	1.0860
H6	2.5880	1.0828	3.6390	2.2107	3.4005		4.6866	2.6159	4.3687
H7	2.5880	3.6390	1.0828	3.4005	2.2107	4.6866		4.3687	2.6159
H8	3.7357	2.1602	3.3755	1.0860	2.2137	2.6159	4.3687		2.6123
H9	3.7357	3.3755	2.1602	2.2137	1.0860	4.3687	2.6159	2.6123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.431	Se1	C2	H6	120.982
Se1	C3	C5	111.431	Se1	C3	H7	120.982
C2	Se1	C3	87.729	C2	C4	C5	114.705
C2	C4	H8	122.142	C3	C5	C4	114.705
C3	C5	H9	122.142	C4	C2	H6	127.587
C4	C5	H9	123.153	C5	C3	H7	127.587
C5	C4	H8	123.153

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)