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	hartrees
Energy at 0K	-18272.839122
Energy at 298.15K	-18272.833807
HF Energy	-2556.104786
Nuclear repulsion energy	311.191580

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3146	1.67
2	A₁	3206	3094	7.47
3	A₁	1460	1409	13.65
4	A₁	1383	1335	1.21
5	A₁	1106	1067	2.71
6	A₁	1042	1006	1.71
7	A₁	802	773	16.77
8	A₁	480	463	0.00
9	A₂	941	908	0.00
10	A₂	706	682	0.00
11	A₂	563	543	0.00
12	B₁	905	873	0.11
13	B₁	735	710	90.72
14	B₁	412	398	1.80
15	B₂	3258	3144	0.69
16	B₂	3192	3080	4.85
17	B₂	1563	1509	0.01
18	B₂	1270	1225	16.39
19	B₂	1111	1072	0.74
20	B₂	840	810	1.06
21	B₂	665	641	0.58

Atom	y (Å)	z (Å)
Se1	0.000	0.901
C2	1.283	-0.427
C3	-1.283	-0.427
C4	0.715	-1.665
C5	-0.715	-1.665
H6	2.336	-0.188
H7	-2.336	-0.188
H8	1.299	-2.578
H9	-1.299	-2.578

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8467	1.8467	2.6640	2.6640	2.5773	2.5773	3.7138	3.7138
C2	1.8467		2.5665	1.3627	2.3505	1.0791	3.6268	2.1515	3.3607
C3	1.8467	2.5665		2.3505	1.3627	3.6268	1.0791	3.3607	2.1515
C4	2.6640	1.3627	2.3505		1.4292	2.1929	3.3890	1.0838	2.2105
C5	2.6640	2.3505	1.3627	1.4292		3.3890	2.1929	2.2105	1.0838
H6	2.5773	1.0791	3.6268	2.1929	3.3890		4.6714	2.6052	4.3496
H7	2.5773	3.6268	1.0791	3.3890	2.1929	4.6714		4.3496	2.6052
H8	3.7138	2.1515	3.3607	1.0838	2.2105	2.6052	4.3496		2.5971
H9	3.7138	3.3607	2.1515	2.2105	1.0838	4.3496	2.6052	2.5971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.418	Se1	C2	H6	120.510
Se1	C3	C5	111.418	Se1	C3	H7	120.510
C2	Se1	C3	87.206	C2	C4	C5	114.978
C2	C4	H8	122.509	C3	C5	C4	114.978
C3	C5	H9	122.509	C4	C2	H6	128.071
C4	C5	H9	122.513	C5	C3	H7	128.071
C5	C4	H8	122.513

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: G4

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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Number	Element	Mulliken
1	Se	0.266
2	C	-0.291
3	C	-0.291
4	C	-0.060
5	C	-0.060
6	H	0.117
7	H	0.117
8	H	0.101
9	H	0.101

<r²>	141.514
(<r²>)^1/2	11.896

All results from a given calculation for C4H4Se (selenophene)

using model chemistry: G4

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)