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	hartrees
Energy at 0K	-2552.065453
Energy at 298.15K	-2552.067818
HF Energy	-2551.353691
Nuclear repulsion energy	310.189471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3306	3136
2	A₁	3263	3095
3	A₁	1495	1418
4	A₁	1403	1331
5	A₁	1125	1067
6	A₁	1047	993
7	A₁	763	724
8	A₁	452	429
9	A₂	876	831
10	A₂	689	654
11	A₂	525	498
12	B₁	875	830
13	B₁	718	681
14	B₁	388	368
15	B₂	3304	3134
16	B₂	3249	3082
17	B₂	1588	1506
18	B₂	1295	1228
19	B₂	1124	1066
20	B₂	835	792
21	B₂	623	591

Atom	y (Å)	z (Å)
Se1	0.000	0.915
C2	1.292	-0.441
C3	-1.292	-0.441
C4	0.719	-1.685
C5	-0.719	-1.685
H6	2.345	-0.207
H7	-2.345	-0.207
H8	1.305	-2.596
H9	-1.305	-2.596

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8732	1.8732	2.6981	2.6981	2.6000	2.6000	3.7456	3.7456
C2	1.8732		2.5833	1.3693	2.3644	1.0791	3.6443	2.1543	3.3740
C3	1.8732	2.5833		2.3644	1.3693	3.6443	1.0791	3.3740	2.1543
C4	2.6981	1.3693	2.3644		1.4383	2.1972	3.4020	1.0827	2.2195
C5	2.6981	2.3644	1.3693	1.4383		3.4020	2.1972	2.2195	1.0827
H6	2.6000	1.0791	3.6443	2.1972	3.4020		4.6903	2.6049	4.3620
H7	2.6000	3.6443	1.0791	3.4020	2.1972	4.6903		4.3620	2.6049
H8	3.7456	2.1543	3.3740	1.0827	2.2195	2.6049	4.3620		2.6101
H9	3.7456	3.3740	2.1543	2.2195	1.0827	4.3620	2.6049	2.6101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.691	Se1	C2	H6	121.074
Se1	C3	C5	111.691	Se1	C3	H7	121.074
C2	Se1	C3	87.188	C2	C4	C5	114.715
C2	C4	H8	122.520	C3	C5	C4	114.715
C3	C5	H9	122.520	C4	C2	H6	127.235
C4	C5	H9	122.765	C5	C3	H7	127.235
C5	C4	H8	122.765

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: CCSD(T)/6-31G**

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: CCSD(T)/6-31G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)