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	hartrees
Energy at 0K	-2554.350158
Energy at 298.15K	-2554.352467
HF Energy	-2553.598539
Nuclear repulsion energy	309.635384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3244	3146
2	A₁	3206	3109
3	A₁	1440	1397
4	A₁	1365	1324
5	A₁	1092	1059
6	A₁	1032	1001
7	A₁	768	744
8	A₁	456	443
9	A₂	830	805
10	A₂	655	635
11	A₂	505	490
12	B₁	832	807
13	B₁	691	670
14	B₁	386	374
15	B₂	3242	3144
16	B₂	3192	3095
17	B₂	1530	1484
18	B₂	1258	1220
19	B₂	1094	1061
20	B₂	829	804
21	B₂	630	611

Atom	y (Å)	z (Å)
Se1	0.000	0.916
C2	1.294	-0.439
C3	-1.294	-0.439
C4	0.719	-1.690
C5	-0.719	-1.690
H6	2.352	-0.197
H7	-2.352	-0.197
H8	1.309	-2.603
H9	-1.309	-2.603

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8740	1.8740	2.7032	2.7032	2.6018	2.6018	3.7551	3.7551
C2	1.8740		2.5888	1.3770	2.3700	1.0846	3.6541	2.1644	3.3857
C3	1.8740	2.5888		2.3700	1.3770	3.6541	1.0846	3.3857	2.1644
C4	2.7032	1.3770	2.3700		1.4373	2.2125	3.4140	1.0878	2.2241
C5	2.7032	2.3700	1.3770	1.4373		3.4140	2.2125	2.2241	1.0878
H6	2.6018	1.0846	3.6541	2.2125	3.4140		4.7033	2.6224	4.3809
H7	2.6018	3.6541	1.0846	3.4140	2.2125	4.7033		4.3809	2.6224
H8	3.7551	2.1644	3.3857	1.0878	2.2241	2.6224	4.3809		2.6185
H9	3.7551	3.3857	2.1644	2.2241	1.0878	4.3809	2.6224	2.6185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.596	Se1	C2	H6	120.792
Se1	C3	C5	111.596	Se1	C3	H7	120.792
C2	Se1	C3	87.373	C2	C4	C5	114.718
C2	C4	H8	122.399	C3	C5	C4	114.718
C3	C5	H9	122.399	C4	C2	H6	127.612
C4	C5	H9	122.883	C5	C3	H7	127.612
C5	C4	H8	122.883

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)