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	hartrees
Energy at 0K	-2554.644276
Energy at 298.15K	-2554.646692
HF Energy	-2553.708287
Nuclear repulsion energy	311.686469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3247	3147
2	A₁	3209	3111
3	A₁	1440	1395
4	A₁	1365	1323
5	A₁	1089	1055
6	A₁	1034	1002
7	A₁	778	754
8	A₁	461	446
9	A₂	900	872
10	A₂	674	654
11	A₂	543	526
12	B₁	869	842
13	B₁	711	689
14	B₁	398	386
15	B₂	3245	3145
16	B₂	3195	3096
17	B₂	1528	1481
18	B₂	1261	1222
19	B₂	1091	1057
20	B₂	828	803
21	B₂	643	623

Atom	y (Å)	z (Å)
Se1	0.000	0.909
C2	1.287	-0.432
C3	-1.287	-0.432
C4	0.715	-1.679
C5	-0.715	-1.679
H6	2.340	-0.194
H7	-2.340	-0.194
H8	1.304	-2.587
H9	-1.304	-2.587

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8588	1.8588	2.6850	2.6850	2.5866	2.5866	3.7313	3.7313
C2	1.8588		2.5743	1.3724	2.3585	1.0792	3.6348	2.1549	3.3704
C3	1.8588	2.5743		2.3585	1.3724	3.6348	1.0792	3.3704	2.1549
C4	2.6850	1.3724	2.3585		1.4291	2.2018	3.3964	1.0825	2.2136
C5	2.6850	2.3585	1.3724	1.4291		3.3964	2.2018	2.2136	1.0825
H6	2.5866	1.0792	3.6348	2.2018	3.3964		4.6795	2.6075	4.3597
H7	2.5866	3.6348	1.0792	3.3964	2.2018	4.6795		4.3597	2.6075
H8	3.7313	2.1549	3.3704	1.0825	2.2136	2.6075	4.3597		2.6088
H9	3.7313	3.3704	2.1549	2.2136	1.0825	4.3597	2.6075	2.6088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.512	Se1	C2	H6	121.070
Se1	C3	C5	111.512	Se1	C3	H7	121.070
C2	Se1	C3	87.655	C2	C4	C5	114.661
C2	C4	H8	122.321	C3	C5	C4	114.661
C3	C5	H9	122.321	C4	C2	H6	127.418
C4	C5	H9	123.018	C5	C3	H7	127.418
C5	C4	H8	123.018

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP4/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: MP4/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)