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	hartrees
Energy at 0K	-2525.735843
Energy at 298.15K	-2525.738174
HF Energy	-2525.457739
Nuclear repulsion energy	307.424590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3552	3157	0.40
2	A₁	3529	3137	8.06
3	A₁	1556	1383	24.47
4	A₁	1511	1343	0.04
5	A₁	1188	1056	2.03
6	A₁	1087	967	1.13
7	A₁	834	741	18.12
8	A₁	507	450	0.76
9	A₂	1002	891	0.00
10	A₂	789	702	0.00
11	A₂	584	520	0.00
12	B₁	996	885	0.11
13	B₁	764	680	23.87
14	B₁	413	367	0.03
15	B₂	3544	3151	6.85
16	B₂	3522	3131	1.65
17	B₂	1669	1484	0.24
18	B₂	1386	1232	10.39
19	B₂	1196	1063	0.01
20	B₂	914	813	0.38
21	B₂	685	609	1.07

Atom	y (Å)	z (Å)
Se1	0.000	0.924
C2	1.296	-0.444
C3	-1.296	-0.444
C4	0.734	-1.701
C5	-0.734	-1.701
H6	2.370	-0.219
H7	-2.370	-0.219
H8	1.327	-2.626
H9	-1.327	-2.626

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8850	1.8850	2.7260	2.7260	2.6315	2.6315	3.7900	3.7900
C2	1.8850		2.5924	1.3770	2.3874	1.0974	3.6733	2.1816	3.4120
C3	1.8850	2.5924		2.3874	1.3770	3.6733	1.0974	3.4120	2.1816
C4	2.7260	1.3770	2.3874		1.4672	2.2081	3.4396	1.0988	2.2589
C5	2.7260	2.3874	1.3770	1.4672		3.4396	2.2081	2.2589	1.0988
H6	2.6315	1.0974	3.6733	2.2081	3.4396		4.7404	2.6230	4.4119
H7	2.6315	3.6733	1.0974	3.4396	2.2081	4.7404		4.4119	2.6230
H8	3.7900	2.1816	3.4120	1.0988	2.2589	2.6230	4.4119		2.6549
H9	3.7900	3.4120	2.1816	2.2589	1.0988	4.4119	2.6230	2.6549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	112.443	Se1	C2	H6	121.592
Se1	C3	C5	112.443	Se1	C3	H7	121.592
C2	Se1	C3	86.889	C2	C4	C5	114.113
C2	C4	H8	123.175	C3	C5	C4	114.113
C3	C5	H9	123.175	C4	C2	H6	125.964
C4	C5	H9	122.712	C5	C3	H7	125.964
C5	C4	H8	122.712

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2=FULL/STO-3G

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: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)