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	hartrees
Energy at 0K	-2554.339188
Energy at 298.15K	-2554.341568
HF Energy	-2553.589477
Nuclear repulsion energy	308.893313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3258	3124
2	A₁	3224	3092
3	A₁	1474	1414
4	A₁	1374	1318
5	A₁	1086	1041
6	A₁	1030	987
7	A₁	768	737
8	A₁	458	439
9	A₂	888	852
10	A₂	682	654
11	A₂	530	509
12	B₁	870	834
13	B₁	706	677
14	B₁	390	374
15	B₂	3255	3121
16	B₂	3210	3078
17	B₂	1559	1495
18	B₂	1258	1206
19	B₂	1091	1047
20	B₂	823	790
21	B₂	636	610

Atom	y (Å)	z (Å)
Se1	0.000	0.919
C2	1.294	-0.439
C3	-1.294	-0.439
C4	0.723	-1.695
C5	-0.723	-1.695
H6	2.361	-0.202
H7	-2.361	-0.202
H8	1.319	-2.614
H9	-1.319	-2.614

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8753	1.8753	2.7114	2.7114	2.6134	2.6134	3.7705	3.7705
C2	1.8753		2.5881	1.3797	2.3760	1.0932	3.6629	2.1752	3.3997
C3	1.8753	2.5881		2.3760	1.3797	3.6629	1.0932	3.3997	2.1752
C4	2.7114	1.3797	2.3760		1.4458	2.2166	3.4265	1.0954	2.2391
C5	2.7114	2.3760	1.3797	1.4458		3.4265	2.2166	2.2391	1.0954
H6	2.6134	1.0932	3.6629	2.2166	3.4265		4.7223	2.6278	4.4002
H7	2.6134	3.6629	1.0932	3.4265	2.2166	4.7223		4.4002	2.6278
H8	3.7705	2.1752	3.3997	1.0954	2.2391	2.6278	4.4002		2.6377
H9	3.7705	3.3997	2.1752	2.2391	1.0954	4.4002	2.6278	2.6377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.913	Se1	C2	H6	121.100
Se1	C3	C5	111.913	Se1	C3	H7	121.100
C2	Se1	C3	87.266	C2	C4	C5	114.454
C2	C4	H8	122.587	C3	C5	C4	114.454
C3	C5	H9	122.587	C4	C2	H6	126.988
C4	C5	H9	122.959	C5	C3	H7	126.988
C5	C4	H8	122.959

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)