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	hartrees
Energy at 0K	-2554.698156
Energy at 298.15K	-2554.700745
HF Energy	-2553.710272
Nuclear repulsion energy	313.740385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3129	2.87
2	A₁	3258	3089	3.84
3	A₁	1507	1429	22.30
4	A₁	1415	1342	0.92
5	A₁	1133	1074	3.37
6	A₁	1052	998	1.56
7	A₁	795	754	21.72
8	A₁	473	448	0.02
9	A₂	981	930	0.00
10	A₂	741	702	0.00
11	A₂	569	540	0.00
12	B₁	950	901	0.04
13	B₁	754	715	122.64
14	B₁	414	393	1.34
15	B₂	3296	3125	0.58
16	B₂	3242	3073	3.29
17	B₂	1611	1527	0.13
18	B₂	1310	1242	16.93
19	B₂	1132	1073	0.60
20	B₂	850	806	1.21
21	B₂	662	627	0.69

Atom	y (Å)	z (Å)
Se1	0.000	0.904
C2	1.277	-0.434
C3	-1.277	-0.434
C4	0.714	-1.665
C5	-0.714	-1.665
H6	2.323	-0.206
H7	-2.323	-0.206
H8	1.296	-2.568
H9	-1.296	-2.568

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8497	1.8497	2.6665	2.6665	2.5745	2.5745	3.7060	3.7060
C2	1.8497		2.5542	1.3536	2.3411	1.0706	3.6074	2.1341	3.3428
C3	1.8497	2.5542		2.3411	1.3536	3.6074	1.0706	3.3428	2.1341
C4	2.6665	1.3536	2.3411		1.4284	2.1722	3.3697	1.0742	2.2036
C5	2.6665	2.3411	1.3536	1.4284		3.3697	2.1722	2.2036	1.0742
H6	2.5745	1.0706	3.6074	2.1722	3.3697		4.6462	2.5762	4.3218
H7	2.5745	3.6074	1.0706	3.3697	2.1722	4.6462		4.3218	2.5762
H8	3.7060	2.1341	3.3428	1.0742	2.2036	2.5762	4.3218		2.5916
H9	3.7060	3.3428	2.1341	2.2036	1.0742	4.3218	2.5762	2.5916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.760	Se1	C2	H6	121.342
Se1	C3	C5	111.760	Se1	C3	H7	121.342
C2	Se1	C3	87.330	C2	C4	C5	114.575
C2	C4	H8	122.643	C3	C5	C4	114.575
C3	C5	H9	122.643	C4	C2	H6	126.898
C4	C5	H9	122.782	C5	C3	H7	126.898
C5	C4	H8	122.782

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)