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	hartrees
Energy at 0K	-2554.707137
Energy at 298.15K	-2554.709507
HF Energy	-2553.591015
Nuclear repulsion energy	312.090960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3101	2.86
2	A₁	3238	3067	4.57
3	A₁	1461	1384	15.69
4	A₁	1382	1309	3.63
5	A₁	1113	1054	4.41
6	A₁	1059	1003	4.26
7	A₁	795	753	22.95
8	A₁	469	444	0.04
9	A₂	826	783	0.00
10	A₂	658	623	0.00
11	A₂	521	493	0.00
12	B₁	826	782	0.14
13	B₁	702	665	151.20
14	B₁	399	378	3.66
15	B₂	3271	3098	0.38
16	B₂	3225	3054	3.82
17	B₂	1540	1458	0.00
18	B₂	1277	1209	22.52
19	B₂	1112	1053	2.34
20	B₂	848	803	0.36
21	B₂	655	620	0.73

Atom	y (Å)	z (Å)
Se1	0.000	0.907
C2	1.285	-0.429
C3	-1.285	-0.429
C4	0.711	-1.679
C5	-0.711	-1.679
H6	2.340	-0.186
H7	-2.340	-0.186
H8	1.306	-2.587
H9	-1.306	-2.587

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8537	1.8537	2.6818	2.6818	2.5827	2.5827	3.7302	3.7302
C2	1.8537		2.5708	1.3755	2.3559	1.0824	3.6337	2.1585	3.3725
C3	1.8537	2.5708		2.3559	1.3755	3.6337	1.0824	3.3725	2.1585
C4	2.6818	1.3755	2.3559		1.4229	2.2094	3.3973	1.0856	2.2125
C5	2.6818	2.3559	1.3755	1.4229		3.3973	2.2094	2.2125	1.0856
H6	2.5827	1.0824	3.6337	2.2094	3.3973		4.6803	2.6146	4.3658
H7	2.5827	3.6337	1.0824	3.3973	2.2094	4.6803		4.3658	2.6146
H8	3.7302	2.1585	3.3725	1.0856	2.2125	2.6146	4.3658		2.6119
H9	3.7302	3.3725	2.1585	2.2125	1.0856	4.3658	2.6146	2.6119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.439	Se1	C2	H6	120.928
Se1	C3	C5	111.439	Se1	C3	H7	120.928
C2	Se1	C3	87.801	C2	C4	C5	114.661
C2	C4	H8	122.135	C3	C5	C4	114.661
C3	C5	H9	122.135	C4	C2	H6	127.633
C4	C5	H9	123.204	C5	C3	H7	127.633
C5	C4	H8	123.204

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2=FULL/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=FULL/6-311G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)