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	hartrees
Energy at 0K	-2552.460773
Energy at 298.15K	-2552.463419
HF Energy	-2551.546964
Nuclear repulsion energy	316.051121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3318	3125	2.04
2	A₁	3270	3079	3.42
3	A₁	1494	1407	19.06
4	A₁	1417	1335	0.14
5	A₁	1127	1061	4.00
6	A₁	1059	997	1.16
7	A₁	840	791	19.77
8	A₁	497	468	0.04
9	A₂	973	916	0.00
10	A₂	746	702	0.00
11	A₂	576	543	0.00
12	B₁	949	894	0.57
13	B₁	760	716	98.08
14	B₁	426	401	1.44
15	B₂	3316	3122	0.03
16	B₂	3256	3065	3.53
17	B₂	1602	1509	0.02
18	B₂	1298	1222	13.75
19	B₂	1133	1067	0.95
20	B₂	859	809	1.15
21	B₂	707	666	0.50

Atom	y (Å)	z (Å)
Se1	0.000	0.892
C2	1.272	-0.415
C3	-1.272	-0.415
C4	0.715	-1.654
C5	-0.715	-1.654
H6	2.324	-0.186
H7	-2.324	-0.186
H8	1.300	-2.562
H9	-1.300	-2.562

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8234	1.8234	2.6437	2.6437	2.5616	2.5616	3.6899	3.6899
C2	1.8234		2.5439	1.3583	2.3412	1.0765	3.6031	2.1472	3.3500
C3	1.8234	2.5439		2.3412	1.3583	3.6031	1.0765	3.3500	2.1472
C4	2.6437	1.3583	2.3412		1.4294	2.1778	3.3743	1.0803	2.2096
C5	2.6437	2.3412	1.3583	1.4294		3.3743	2.1778	2.2096	1.0803
H6	2.5616	1.0765	3.6031	2.1778	3.3743		4.6477	2.5872	4.3329
H7	2.5616	3.6031	1.0765	3.3743	2.1778	4.6477		4.3329	2.5872
H8	3.6899	2.1472	3.3500	1.0803	2.2096	2.5872	4.3329		2.5992
H9	3.6899	3.3500	2.1472	2.2096	1.0803	4.3329	2.5872	2.5992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.545	Se1	C2	H6	121.963
Se1	C3	C5	111.545	Se1	C3	H7	121.963
C2	Se1	C3	88.466	C2	C4	C5	114.222
C2	C4	H8	122.996	C3	C5	C4	114.222
C3	C5	H9	122.996	C4	C2	H6	126.492
C4	C5	H9	122.782	C5	C3	H7	126.492
C5	C4	H8	122.782

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)