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	hartrees
Energy at 0K	-2555.976172
Energy at 298.15K	-2555.978665
HF Energy	-2555.645294
Nuclear repulsion energy	312.445097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3133	1.80
2	A₁	3220	3089	4.45
3	A₁	1461	1402	14.34
4	A₁	1383	1326	4.20
5	A₁	1103	1058	2.62
6	A₁	1045	1002	2.80
7	A₁	782	750	19.23
8	A₁	466	447	0.01
9	A₂	939	900	0.00
10	A₂	697	669	0.00
11	A₂	558	536	0.00
12	B₁	908	871	0.07
13	B₁	727	697	127.09
14	B₁	408	392	2.19
15	B₂	3261	3128	0.09
16	B₂	3204	3074	3.01
17	B₂	1553	1490	0.59
18	B₂	1277	1225	18.09
19	B₂	1105	1060	1.25
20	B₂	844	810	1.05
21	B₂	641	615	0.99

Atom	y (Å)	z (Å)
Se1	0.000	0.908
C2	1.284	-0.437
C3	-1.284	-0.437
C4	0.711	-1.672
C5	-0.711	-1.672
H6	2.333	-0.201
H7	-2.333	-0.201
H8	1.296	-2.579
H9	-1.296	-2.579

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8595	1.8595	2.6765	2.6765	2.5833	2.5833	3.7200	3.7200
C2	1.8595		2.5679	1.3614	2.3467	1.0751	3.6245	2.1419	3.3532
C3	1.8595	2.5679		2.3467	1.3614	3.6245	1.0751	3.3532	2.1419
C4	2.6765	1.3614	2.3467		1.4229	2.1891	3.3810	1.0788	2.2027
C5	2.6765	2.3467	1.3614	1.4229		3.3810	2.1891	2.2027	1.0788
H6	2.5833	1.0751	3.6245	2.1891	3.3810		4.6659	2.5937	4.3383
H7	2.5833	3.6245	1.0751	3.3810	2.1891	4.6659		4.3383	2.5937
H8	3.7200	2.1419	3.3532	1.0788	2.2027	2.5937	4.3383		2.5920
H9	3.7200	3.3532	2.1419	2.2027	1.0788	4.3383	2.5937	2.5920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.462	Se1	C2	H6	121.014
Se1	C3	C5	111.462	Se1	C3	H7	121.014
C2	Se1	C3	87.339	C2	C4	C5	114.869
C2	C4	H8	122.322	C3	C5	C4	114.869
C3	C5	H9	122.322	C4	C2	H6	127.524
C4	C5	H9	122.809	C5	C3	H7	127.524
C5	C4	H8	122.809

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)