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	hartrees
Energy at 0K	-2552.031868
Energy at 298.15K	-2552.034205
HF Energy	-2551.345216
Nuclear repulsion energy	309.849395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3257	3133
2	A₁	3212	3090
3	A₁	1491	1434
4	A₁	1394	1341
5	A₁	1125	1082
6	A₁	1044	1004
7	A₁	761	732
8	A₁	451	434
9	A₂	864	832
10	A₂	688	662
11	A₂	528	508
12	B₁	866	833
13	B₁	713	686
14	B₁	389	374
15	B₂	3254	3131
16	B₂	3199	3077
17	B₂	1582	1522
18	B₂	1286	1237
19	B₂	1121	1078
20	B₂	835	803
21	B₂	621	597

Atom	y (Å)	z (Å)
Se1	0.000	0.916
C2	1.293	-0.442
C3	-1.293	-0.442
C4	0.720	-1.685
C5	-0.720	-1.685
H6	2.353	-0.207
H7	-2.353	-0.207
H8	1.308	-2.602
H9	-1.308	-2.602

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8750	1.8750	2.6989	2.6989	2.6075	2.6075	3.7533	3.7533
C2	1.8750		2.5865	1.3695	2.3660	1.0858	3.6542	2.1605	3.3813
C3	1.8750	2.5865		2.3660	1.3695	3.6542	1.0858	3.3813	2.1605
C4	2.6989	1.3695	2.3660		1.4391	2.2034	3.4100	1.0893	2.2250
C5	2.6989	2.3660	1.3695	1.4391		3.4100	2.2034	2.2250	1.0893
H6	2.6075	1.0858	3.6542	2.2034	3.4100		4.7067	2.6134	4.3751
H7	2.6075	3.6542	1.0858	3.4100	2.2034	4.7067		4.3751	2.6134
H8	3.7533	2.1605	3.3813	1.0893	2.2250	2.6134	4.3751		2.6156
H9	3.7533	3.3813	2.1605	2.2250	1.0893	4.3751	2.6134	2.6156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.626	Se1	C2	H6	121.121
Se1	C3	C5	111.626	Se1	C3	H7	121.121
C2	Se1	C3	87.216	C2	C4	C5	114.766
C2	C4	H8	122.549	C3	C5	C4	114.766
C3	C5	H9	122.549	C4	C2	H6	127.254
C4	C5	H9	122.685	C5	C3	H7	127.254
C5	C4	H8	122.685

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)