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	hartrees
Energy at 0K	-2552.001781
Energy at 298.15K	-2552.004197
HF Energy	-2551.346264
Nuclear repulsion energy	310.663790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	3097	2.60
2	A₁	3235	3055	7.39
3	A₁	1522	1438	20.82
4	A₁	1414	1335	0.56
5	A₁	1135	1072	3.30
6	A₁	1052	994	1.13
7	A₁	770	727	22.42
8	A₁	458	433	0.38
9	A₂	899	849	0.00
10	A₂	713	673	0.00
11	A₂	541	511	0.00
12	B₁	900	850	0.26
13	B₁	730	689	115.57
14	B₁	396	374	1.42
15	B₂	3277	3095	2.07
16	B₂	3221	3042	4.81
17	B₂	1620	1529	0.00
18	B₂	1303	1231	20.72
19	B₂	1134	1071	0.24
20	B₂	845	798	0.67
21	B₂	631	596	0.19

Atom	y (Å)	z (Å)
Se1	0.000	0.914
C2	1.290	-0.442
C3	-1.290	-0.442
C4	0.720	-1.679
C5	-0.720	-1.679
H6	2.348	-0.209
H7	-2.348	-0.209
H8	1.306	-2.595
H9	-1.306	-2.595

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8709	1.8709	2.6908	2.6908	2.6029	2.6029	3.7439	3.7439
C2	1.8709		2.5792	1.3621	2.3599	1.0839	3.6453	2.1532	3.3727
C3	1.8709	2.5792		2.3599	1.3621	3.6453	1.0839	3.3727	2.1532
C4	2.6908	1.3621	2.3599		1.4398	2.1936	3.4021	1.0875	2.2236
C5	2.6908	2.3599	1.3621	1.4398		3.4021	2.1936	2.2236	1.0875
H6	2.6029	1.0839	3.6453	2.1936	3.4021		4.6966	2.6034	4.3644
H7	2.6029	3.6453	1.0839	3.4021	2.1936	4.6966		4.3644	2.6034
H8	3.7439	2.1532	3.3727	1.0875	2.2236	2.6034	4.3644		2.6126
H9	3.7439	3.3727	2.1532	2.2236	1.0875	4.3644	2.6034	2.6126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.702	Se1	C2	H6	121.183
Se1	C3	C5	111.702	Se1	C3	H7	121.183
C2	Se1	C3	87.150	C2	C4	C5	114.723
C2	C4	H8	122.647	C3	C5	C4	114.723
C3	C5	H9	122.647	C4	C2	H6	127.115
C4	C5	H9	122.629	C5	C3	H7	127.115
C5	C4	H8	122.629

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD/6-31G*

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: CCSD/6-31G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)