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	hartrees
Energy at 0K	-2554.493360
Energy at 298.15K	-2554.495268
HF Energy	-2553.653155
Nuclear repulsion energy	310.132016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3263	3141
2	A₁	3221	3101
3	A₁	1461	1406
4	A₁	1384	1332
5	A₁	1110	1069
6	A₁	1034	995
7	A₁	764	735
8	A₁	455	437
9	A₂	688	662
10	A₂	586	564
11	A₂	250	241
12	B₁	771	742
13	B₁	667	642
14	B₁	368	354
15	B₂	3261	3138
16	B₂	3207	3087
17	B₂	1559	1501
18	B₂	1283	1234
19	B₂	1114	1072
20	B₂	834	803
21	B₂	624	601

Atom	y (Å)	z (Å)
Se1	0.000	0.917
C2	1.290	-0.445
C3	-1.290	-0.445
C4	0.718	-1.685
C5	-0.718	-1.685
H6	2.344	-0.206
H7	-2.344	-0.206
H8	1.304	-2.597
H9	-1.304	-2.597

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8756	1.8756	2.6989	2.6989	2.5988	2.5988	3.7477	3.7477
C2	1.8756		2.5806	1.3657	2.3607	1.0803	3.6420	2.1523	3.3706
C3	1.8756	2.5806		2.3607	1.3657	3.6420	1.0803	3.3706	2.1523
C4	2.6989	1.3657	2.3607		1.4368	2.1977	3.4008	1.0837	2.2183
C5	2.6989	2.3607	1.3657	1.4368		3.4008	2.1977	2.2183	1.0837
H6	2.5988	1.0803	3.6420	2.1977	3.4008		4.6878	2.6076	4.3615
H7	2.5988	3.6420	1.0803	3.4008	2.1977	4.6878		4.3615	2.6076
H8	3.7477	2.1523	3.3706	1.0837	2.2183	2.6076	4.3615		2.6075
H9	3.7477	3.3706	2.1523	2.2183	1.0837	4.3615	2.6076	2.6075

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.780	Se1	C2	H6	120.691
Se1	C3	C5	111.780	Se1	C3	H7	120.691
C2	Se1	C3	86.931	C2	C4	C5	114.754
C2	C4	H8	122.555	C3	C5	C4	114.754
C3	C5	H9	122.555	C4	C2	H6	127.529
C4	C5	H9	122.691	C5	C3	H7	127.529
C5	C4	H8	122.691

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD(T)/TZVP

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(T)/TZVP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)