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	hartrees
Energy at 0K	-2554.320515
Energy at 298.15K	-2554.322935
HF Energy	-2553.596909
Nuclear repulsion energy	310.821187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3280	3179	2.13
2	A₁	3247	3147	2.85
3	A₁	1446	1401	11.59
4	A₁	1358	1316	6.26
5	A₁	1084	1050	1.50
6	A₁	1044	1011	4.93
7	A₁	793	768	20.04
8	A₁	467	452	0.00
9	A₂	876	849	0.00
10	A₂	659	638	0.00
11	A₂	546	529	0.00
12	B₁	850	824	0.45
13	B₁	708	686	133.00
14	B₁	403	391	2.99
15	B₂	3277	3176	0.02
16	B₂	3233	3133	2.68
17	B₂	1505	1459	0.75
18	B₂	1255	1216	18.63
19	B₂	1078	1045	1.30
20	B₂	829	804	0.61
21	B₂	655	635	1.09

Atom	y (Å)	z (Å)
Se1	0.000	0.910
C2	1.289	-0.425
C3	-1.289	-0.425
C4	0.714	-1.689
C5	-0.714	-1.689
H6	2.352	-0.183
H7	-2.352	-0.183
H8	1.315	-2.601
H9	-1.315	-2.601

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8564	1.8564	2.6956	2.6956	2.5934	2.5934	3.7493	3.7493
C2	1.8564		2.5788	1.3887	2.3687	1.0896	3.6492	2.1757	3.3937
C3	1.8564	2.5788		2.3687	1.3887	3.6492	1.0896	3.3937	2.1757
C4	2.6956	1.3887	2.3687		1.4279	2.2250	3.4157	1.0922	2.2247
C5	2.6956	2.3687	1.3887	1.4279		3.4157	2.2250	2.2247	1.0922
H6	2.5934	1.0896	3.6492	2.2250	3.4157		4.7035	2.6306	4.3924
H7	2.5934	3.6492	1.0896	3.4157	2.2250	4.7035		4.3924	2.6306
H8	3.7493	2.1757	3.3937	1.0922	2.2247	2.6306	4.3924		2.6306
H9	3.7493	3.3937	2.1757	2.2247	1.0922	4.3924	2.6306	2.6306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.524	Se1	C2	H6	121.147
Se1	C3	C5	111.524	Se1	C3	H7	121.147
C2	Se1	C3	87.989	C2	C4	C5	114.481
C2	C4	H8	122.110	C3	C5	C4	114.481
C3	C5	H9	122.110	C4	C2	H6	127.329
C4	C5	H9	123.409	C5	C3	H7	127.329
C5	C4	H8	123.409

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2=FULL/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: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)