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	hartrees
Energy at 0K	-2552.036189
Energy at 298.15K	-2552.038632
HF Energy	-2551.354554
Nuclear repulsion energy	310.830566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3325	3130	2.84
2	A₁	3280	3088	8.18
3	A₁	1525	1436	19.78
4	A₁	1421	1338	0.98
5	A₁	1137	1070	3.30
6	A₁	1054	992	0.75
7	A₁	771	726	20.91
8	A₁	458	431	0.30
9	A₂	912	858	0.00
10	A₂	716	674	0.00
11	A₂	539	507	0.00
12	B₁	910	857	0.24
13	B₁	733	691	104.24
14	B₁	396	373	1.49
15	B₂	3323	3128	2.66
16	B₂	3266	3075	5.42
17	B₂	1623	1528	0.06
18	B₂	1311	1235	19.23
19	B₂	1137	1071	0.11
20	B₂	845	795	0.81
21	B₂	632	595	0.16

Atom	y (Å)	z (Å)
Se1	0.000	0.914
C2	1.289	-0.442
C3	-1.289	-0.442
C4	0.720	-1.680
C5	-0.720	-1.680
H6	2.341	-0.210
H7	-2.341	-0.210
H8	1.304	-2.590
H9	-1.304	-2.590

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8704	1.8704	2.6913	2.6913	2.5968	2.5968	3.7381	3.7381
C2	1.8704		2.5777	1.3624	2.3594	1.0777	3.6375	2.1479	3.3668
C3	1.8704	2.5777		2.3594	1.3624	3.6375	1.0777	3.3668	2.1479
C4	2.6913	1.3624	2.3594		1.4395	2.1885	3.3956	1.0814	2.2188
C5	2.6913	2.3594	1.3624	1.4395		3.3956	2.1885	2.2188	1.0814
H6	2.5968	1.0777	3.6375	2.1885	3.3956		4.6825	2.5962	4.3532
H7	2.5968	3.6375	1.0777	3.3956	2.1885	4.6825		4.3532	2.5962
H8	3.7381	2.1479	3.3668	1.0814	2.2188	2.5962	4.3532		2.6076
H9	3.7381	3.3668	2.1479	2.2188	1.0814	4.3532	2.5962	2.6076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.753	Se1	C2	H6	121.124
Se1	C3	C5	111.753	Se1	C3	H7	121.124
C2	Se1	C3	87.113	C2	C4	C5	114.691
C2	C4	H8	122.618	C3	C5	C4	114.691
C3	C5	H9	122.618	C4	C2	H6	127.124
C4	C5	H9	122.691	C5	C3	H7	127.124
C5	C4	H8	122.691

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)