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	hartrees
Energy at 0K	-2554.757772
Energy at 298.15K	-2554.760267
HF Energy	-2553.709105
Nuclear repulsion energy	312.952935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3268	3147
2	A₁	3227	3108
3	A₁	1456	1402
4	A₁	1378	1327
5	A₁	1108	1067
6	A₁	1043	1004
7	A₁	785	756
8	A₁	465	447
9	A₂	940	905
10	A₂	699	673
11	A₂	560	539
12	B₁	899	866
13	B₁	736	709
14	B₁	408	393
15	B₂	3264	3143
16	B₂	3210	3091
17	B₂	1542	1484
18	B₂	1276	1229
19	B₂	1103	1062
20	B₂	833	802
21	B₂	649	625

Atom	y (Å)	z (Å)
Se1	0.000	0.905
C2	1.282	-0.430
C3	-1.282	-0.430
C4	0.711	-1.673
C5	-0.711	-1.673
H6	2.330	-0.197
H7	-2.330	-0.197
H8	1.298	-2.576
H9	-1.298	-2.576

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8513	1.8513	2.6746	2.6746	2.5773	2.5773	3.7157	3.7157
C2	1.8513		2.5637	1.3672	2.3488	1.0734	3.6190	2.1461	3.3554
C3	1.8513	2.5637		2.3488	1.3672	3.6190	1.0734	3.3554	2.1461
C4	2.6746	1.3672	2.3488		1.4227	2.1902	3.3802	1.0770	2.2028
C5	2.6746	2.3488	1.3672	1.4227		3.3802	2.1902	2.2028	1.0770
H6	2.5773	1.0734	3.6190	2.1902	3.3802		4.6592	2.5935	4.3379
H7	2.5773	3.6190	1.0734	3.3802	2.1902	4.6592		4.3379	2.5935
H8	3.7157	2.1461	3.3554	1.0770	2.2028	2.5935	4.3379		2.5952
H9	3.7157	3.3554	2.1461	2.2028	1.0770	4.3379	2.5935	2.5952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.518	Se1	C2	H6	121.266
Se1	C3	C5	111.518	Se1	C3	H7	121.266
C2	Se1	C3	87.641	C2	C4	C5	114.662
C2	C4	H8	122.362	C3	C5	C4	114.662
C3	C5	H9	122.362	C4	C2	H6	127.216
C4	C5	H9	122.977	C5	C3	H7	127.216
C5	C4	H8	122.977

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: MP4=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: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)