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	hartrees
Energy at 0K	-2552.059469
Energy at 298.15K	-2552.061936
HF Energy	-2551.353792
Nuclear repulsion energy	313.090475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3340	3121	2.44
2	A₁	3296	3080	4.77
3	A₁	1492	1394	14.11
4	A₁	1408	1315	4.37
5	A₁	1130	1056	3.87
6	A₁	1072	1002	2.82
7	A₁	798	746	20.48
8	A₁	467	437	0.08
9	A₂	895	836	0.00
10	A₂	694	648	0.00
11	A₂	547	511	0.00
12	B₁	881	823	0.07
13	B₁	736	687	110.42
14	B₁	407	380	2.75
15	B₂	3337	3118	0.19
16	B₂	3282	3067	4.12
17	B₂	1570	1467	0.01
18	B₂	1301	1216	21.16
19	B₂	1127	1053	0.63
20	B₂	849	794	0.40
21	B₂	655	612	0.31

Atom	y (Å)	z (Å)
Se1	0.000	0.904
C2	1.282	-0.426
C3	-1.282	-0.426
C4	0.710	-1.673
C5	-0.710	-1.673
H6	2.333	-0.191
H7	-2.333	-0.191
H8	1.300	-2.578
H9	-1.300	-2.578

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8474	1.8474	2.6729	2.6729	2.5771	2.5771	3.7165	3.7165
C2	1.8474		2.5649	1.3723	2.3505	1.0766	3.6232	2.1520	3.3617
C3	1.8474	2.5649		2.3505	1.3723	3.6232	1.0766	3.3617	2.1520
C4	2.6729	1.3723	2.3505		1.4199	2.1981	3.3848	1.0803	2.2044
C5	2.6729	2.3505	1.3723	1.4199		3.3848	2.1981	2.2044	1.0803
H6	2.5771	1.0766	3.6232	2.1981	3.3848		4.6661	2.6010	4.3473
H7	2.5771	3.6232	1.0766	3.3848	2.1981	4.6661		4.3473	2.6010
H8	3.7165	2.1520	3.3617	1.0803	2.2044	2.6010	4.3473		2.6004
H9	3.7165	3.3617	2.1520	2.2044	1.0803	4.3473	2.6010	2.6004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.380	Se1	C2	H6	121.350
Se1	C3	C5	111.380	Se1	C3	H7	121.350
C2	Se1	C3	87.926	C2	C4	C5	114.657
C2	C4	H8	122.225	C3	C5	C4	114.657
C3	C5	H9	122.225	C4	C2	H6	127.270
C4	C5	H9	123.118	C5	C3	H7	127.270
C5	C4	H8	123.118

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)