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	hartrees
Energy at 0K	-2552.304959
Energy at 298.15K	-2552.307506
HF Energy	-2551.545219
Nuclear repulsion energy	314.802120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3310	3126	2.16
2	A₁	3265	3084	1.38
3	A₁	1451	1371	11.01
4	A₁	1378	1302	2.78
5	A₁	1107	1046	3.26
6	A₁	1062	1003	3.44
7	A₁	831	785	17.56
8	A₁	485	458	0.11
9	A₂	933	881	0.00
10	A₂	700	661	0.00
11	A₂	565	533	0.00
12	B₁	894	844	0.02
13	B₁	743	702	101.05
14	B₁	416	393	2.77
15	B₂	3308	3124	0.79
16	B₂	3251	3071	2.56
17	B₂	1525	1441	0.02
18	B₂	1270	1200	17.09
19	B₂	1108	1046	1.38
20	B₂	846	799	0.52
21	B₂	694	656	0.68

Atom	y (Å)	z (Å)
Se1	0.000	0.895
C2	1.279	-0.413
C3	-1.279	-0.413
C4	0.709	-1.665
C5	-0.709	-1.665
H6	2.331	-0.176
H7	-2.331	-0.176
H8	1.300	-2.572
H9	-1.300	-2.572

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8294	1.8294	2.6563	2.6563	2.5654	2.5654	3.7025	3.7025
C2	1.8294		2.5574	1.3755	2.3487	1.0788	3.6177	2.1586	3.3629
C3	1.8294	2.5574		2.3487	1.3755	3.6177	1.0788	3.3629	2.1586
C4	2.6563	1.3755	2.3487		1.4172	2.2022	3.3848	1.0826	2.2038
C5	2.6563	2.3487	1.3755	1.4172		3.3848	2.2022	2.2038	1.0826
H6	2.5654	1.0788	3.6177	2.2022	3.3848		4.6623	2.6081	4.3503
H7	2.5654	3.6177	1.0788	3.3848	2.2022	4.6623		4.3503	2.6081
H8	3.7025	2.1586	3.3629	1.0826	2.2038	2.6081	4.3503		2.6001
H9	3.7025	3.3629	2.1586	2.2038	1.0826	4.3503	2.6081	2.6001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.168	Se1	C2	H6	121.644
Se1	C3	C5	111.168	Se1	C3	H7	121.644
C2	Se1	C3	88.691	C2	C4	C5	114.487
C2	C4	H8	122.396	C3	C5	C4	114.487
C3	C5	H9	122.396	C4	C2	H6	127.188
C4	C5	H9	123.117	C5	C3	H7	127.188
C5	C4	H8	123.117

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)