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	hartrees
Energy at 0K	-2554.325805
Energy at 298.15K	-2554.328217
HF Energy	-2553.598243
Nuclear repulsion energy	308.964932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3264	3162	2.52
2	A₁	3229	3127	5.17
3	A₁	1485	1438	22.07
4	A₁	1379	1336	1.54
5	A₁	1092	1058	2.30
6	A₁	1030	998	1.37
7	A₁	771	746	20.77
8	A₁	461	447	0.06
9	A₂	891	863	0.00
10	A₂	686	665	0.00
11	A₂	532	515	0.00
12	B₁	882	855	0.10
13	B₁	709	687	124.70
14	B₁	393	381	1.68
15	B₂	3261	3159	1.17
16	B₂	3214	3114	3.62
17	B₂	1572	1522	0.96
18	B₂	1271	1231	16.96
19	B₂	1094	1060	0.37
20	B₂	829	803	1.11
21	B₂	637	618	0.53

Atom	y (Å)	z (Å)
Se1	0.000	0.918
C2	1.295	-0.441
C3	-1.295	-0.441
C4	0.724	-1.692
C5	-0.724	-1.692
H6	2.359	-0.202
H7	-2.359	-0.202
H8	1.319	-2.610
H9	-1.319	-2.610

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8774	1.8774	2.7088	2.7088	2.6118	2.6118	3.7666	3.7666
C2	1.8774		2.5901	1.3749	2.3756	1.0908	3.6623	2.1691	3.3966
C3	1.8774	2.5901		2.3756	1.3749	3.6623	1.0908	3.3966	2.1691
C4	2.7088	1.3749	2.3756		1.4490	2.2120	3.4250	1.0936	2.2400
C5	2.7088	2.3756	1.3749	1.4490		3.4250	2.2120	2.2400	1.0936
H6	2.6118	1.0908	3.6623	2.2120	3.4250		4.7188	2.6231	4.3963
H7	2.6118	3.6623	1.0908	3.4250	2.2120	4.7188		4.3963	2.6231
H8	3.7666	2.1691	3.3966	1.0936	2.2400	2.6231	4.3963		2.6376
H9	3.7666	3.3966	2.1691	2.2400	1.0936	4.3963	2.6231	2.6376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.866	Se1	C2	H6	120.961
Se1	C3	C5	111.866	Se1	C3	H7	120.961
C2	Se1	C3	87.232	C2	C4	C5	114.518
C2	C4	H8	122.562	C3	C5	C4	114.518
C3	C5	H9	122.562	C4	C2	H6	127.173
C4	C5	H9	122.920	C5	C3	H7	127.173
C5	C4	H8	122.920

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD/aug-cc-pVDZ

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: QCISD/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)