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	hartrees
Energy at 0K	-2554.652202
Energy at 298.15K	-2554.654606
HF Energy	-2553.668935
Nuclear repulsion energy	311.628653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3251	3251
2	A₁	3210	3210
3	A₁	1438	1438
4	A₁	1366	1366
5	A₁	1092	1092
6	A₁	1035	1035
7	A₁	780	780
8	A₁	462	462
9	A₂	894	894
10	A₂	672	672
11	A₂	542	542
12	B₁	868	868
13	B₁	711	711
14	B₁	400	400
15	B₂	3248	3248
16	B₂	3195	3195
17	B₂	1527	1527
18	B₂	1263	1263
19	B₂	1093	1093
20	B₂	828	828
21	B₂	645	645

Atom	y (Å)	z (Å)
Se1	0.000	0.909
C2	1.287	-0.433
C3	-1.287	-0.433
C4	0.715	-1.680
C5	-0.715	-1.680
H6	2.339	-0.191
H7	-2.339	-0.191
H8	1.303	-2.589
H9	-1.303	-2.589

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8595	1.8595	2.6855	2.6855	2.5851	2.5851	3.7323	3.7323
C2	1.8595		2.5748	1.3723	2.3585	1.0791	3.6346	2.1559	3.3700
C3	1.8595	2.5748		2.3585	1.3723	3.6346	1.0791	3.3700	2.1559
C4	2.6855	1.3723	2.3585		1.4290	2.2033	3.3970	1.0826	2.2126
C5	2.6855	2.3585	1.3723	1.4290		3.3970	2.2033	2.2126	1.0826
H6	2.5851	1.0791	3.6346	2.2033	3.3970		4.6784	2.6115	4.3600
H7	2.5851	3.6346	1.0791	3.3970	2.2033	4.6784		4.3600	2.6115
H8	3.7323	2.1559	3.3700	1.0826	2.2126	2.6115	4.3600		2.6056
H9	3.7323	3.3700	2.1559	2.2126	1.0826	4.3600	2.6115	2.6056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.511	Se1	C2	H6	120.898
Se1	C3	C5	111.511	Se1	C3	H7	120.898
C2	Se1	C3	87.631	C2	C4	C5	114.674
C2	C4	H8	122.411	C3	C5	C4	114.674
C3	C5	H9	122.411	C4	C2	H6	127.592
C4	C5	H9	122.915	C5	C3	H7	127.592
C5	C4	H8	122.915

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP4/Def2TZVPP

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: MP4/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)