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	hartrees
Energy at 0K	-2554.572386
Energy at 298.15K	-2554.574873
HF Energy	-2553.708027
Nuclear repulsion energy	313.600004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	3115	2.36
2	A₁	3244	3080	2.29
3	A₁	1449	1376	11.86
4	A₁	1370	1301	4.85
5	A₁	1097	1042	2.82
6	A₁	1053	999	4.30
7	A₁	803	762	19.76
8	A₁	470	446	0.00
9	A₂	913	867	0.00
10	A₂	680	646	0.00
11	A₂	558	530	0.00
12	B₁	875	830	0.12
13	B₁	721	684	125.21
14	B₁	409	389	2.93
15	B₂	3278	3112	0.02
16	B₂	3230	3067	2.72
17	B₂	1524	1447	0.12
18	B₂	1268	1204	18.80
19	B₂	1096	1041	1.47
20	B₂	841	798	0.60
21	B₂	667	633	0.90

Atom	y (Å)	z (Å)
Se1	0.000	0.902
C2	1.279	-0.423
C3	-1.279	-0.423
C4	0.709	-1.673
C5	-0.709	-1.673
H6	2.329	-0.184
H7	-2.329	-0.184
H8	1.302	-2.576
H9	-1.302	-2.576

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8417	1.8417	2.6705	2.6705	2.5701	2.5701	3.7133	3.7133
C2	1.8417		2.5584	1.3739	2.3480	1.0772	3.6166	2.1528	3.3609
C3	1.8417	2.5584		2.3480	1.3739	3.6166	1.0772	3.3609	2.1528
C4	2.6705	1.3739	2.3480		1.4170	2.2011	3.3833	1.0804	2.2038
C5	2.6705	2.3480	1.3739	1.4170		3.3833	2.2011	2.2038	1.0804
H6	2.5701	1.0772	3.6166	2.2011	3.3833		4.6590	2.6033	4.3483
H7	2.5701	3.6166	1.0772	3.3833	2.2011	4.6590		4.3483	2.6033
H8	3.7133	2.1528	3.3609	1.0804	2.2038	2.6033	4.3483		2.6037
H9	3.7133	3.3609	2.1528	2.2038	1.0804	4.3483	2.6033	2.6037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.465	Se1	C2	H6	121.162
Se1	C3	C5	111.465	Se1	C3	H7	121.162
C2	Se1	C3	87.987	C2	C4	C5	114.541
C2	C4	H8	122.148	C3	C5	C4	114.541
C3	C5	H9	122.148	C4	C2	H6	127.372
C4	C5	H9	123.311	C5	C3	H7	127.372
C5	C4	H8	123.311

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)