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	hartrees
Energy at 0K	-2554.685514
Energy at 298.15K
HF Energy	-2553.708432
Nuclear repulsion energy	314.981494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	2926	0.49
2	A₁	1644	1561	6.24
3	A₁	1504	1428	5.47
4	A₁	1355	1286	6.13
5	A₁	1190	1129	4.18
6	A₁	735	698	15.76
7	A₁	312	296	8.06
8	A₁	2790i	2649i	1.28
9	A₂	1739	1651	0.00
10	A₂	1209	1148	0.00
11	A₂	795	754	0.00
12	B₁	1911	1814	60.01
13	B₁	1234	1172	59.35
14	B₁	937	890	8.23
15	B₂	2862	2717	0.87
16	B₂	1454	1381	0.13
17	B₂	1233	1171	0.12
18	B₂	1043	990	15.41
19	B₂	365i	347i	4.88
20	B₂	1699i	1613i	0.52
21	B₂	3862i	3667i	2.59

Atom	y (Å)	z (Å)
Se1	0.000	0.898
C2	1.274	-0.420
C3	-1.274	-0.420
C4	0.705	-1.665
C5	-0.705	-1.665
H6	2.320	-0.185
H7	-2.320	-0.185
H8	1.295	-2.564
H9	-1.295	-2.564

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8334	1.8334	2.6586	2.6586	2.5599	2.5599	3.6966	3.6966
C2	1.8334		2.5482	1.3687	2.3384	1.0717	3.6013	2.1441	3.3461
C3	1.8334	2.5482		2.3384	1.3687	3.6013	1.0717	3.3461	2.1441
C4	2.6586	1.3687	2.3384		1.4107	2.1902	3.3677	1.0751	2.1930
C5	2.6586	2.3384	1.3687	1.4107		3.3677	2.1902	2.1930	1.0751
H6	2.5599	1.0717	3.6013	2.1902	3.3677		4.6391	2.5908	4.3273
H7	2.5599	3.6013	1.0717	3.3677	2.1902	4.6391		4.3273	2.5908
H8	3.6966	2.1441	3.3461	1.0751	2.1930	2.5908	4.3273		2.5896
H9	3.6966	3.3461	2.1441	2.1930	1.0751	4.3273	2.5908	2.5896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.427	Se1	C2	H6	121.331
Se1	C3	C5	111.427	Se1	C3	H7	121.331
C2	Se1	C3	88.043	C2	C4	C5	114.552
C2	C4	H8	122.200	C3	C5	C4	114.552
C3	C5	H9	122.200	C4	C2	H6	127.243
C4	C5	H9	123.249	C5	C3	H7	127.243
C5	C4	H8	123.249

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)