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	hartrees
Energy at 0K	-2552.034091
Energy at 298.15K	-2552.036418
HF Energy	-2551.344791
Nuclear repulsion energy	309.965330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3257	3110
2	A₁	3213	3068
3	A₁	1475	1408
4	A₁	1388	1325
5	A₁	1119	1069
6	A₁	1047	999
7	A₁	763	729
8	A₁	452	431
9	A₂	857	819
10	A₂	676	646
11	A₂	529	505
12	B₁	854	815
13	B₁	712	680
14	B₁	391	373
15	B₂	3255	3108
16	B₂	3199	3054
17	B₂	1562	1492
18	B₂	1280	1222
19	B₂	1115	1064
20	B₂	834	796
21	B₂	620	592

Atom	y (Å)	z (Å)
Se1	0.000	0.915
C2	1.294	-0.439
C3	-1.294	-0.439
C4	0.717	-1.686
C5	-0.717	-1.686
H6	2.354	-0.203
H7	-2.354	-0.203
H8	1.307	-2.602
H9	-1.307	-2.602

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8730	1.8730	2.6978	2.6978	2.6057	2.6057	3.7520	3.7520
C2	1.8730		2.5879	1.3735	2.3663	1.0860	3.6555	2.1629	3.3827
C3	1.8730	2.5879		2.3663	1.3735	3.6555	1.0860	3.3827	2.1629
C4	2.6978	1.3735	2.3663		1.4347	2.2087	3.4106	1.0896	2.2220
C5	2.6978	2.3663	1.3735	1.4347		3.4106	2.2087	2.2220	1.0896
H6	2.6057	1.0860	3.6555	2.2087	3.4106		4.7078	2.6179	4.3771
H7	2.6057	3.6555	1.0860	3.4106	2.2087	4.7078		4.3771	2.6179
H8	3.7520	2.1629	3.3827	1.0896	2.2220	2.6179	4.3771		2.6139
H9	3.7520	3.3827	2.1629	2.2220	1.0896	4.3771	2.6179	2.6139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.477	Se1	C2	H6	121.114
Se1	C3	C5	111.477	Se1	C3	H7	121.114
C2	Se1	C3	87.397	C2	C4	C5	114.824
C2	C4	H8	122.414	C3	C5	C4	114.824
C3	C5	H9	122.414	C4	C2	H6	127.408
C4	C5	H9	122.762	C5	C3	H7	127.408
C5	C4	H8	122.762

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)