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	hartrees
Energy at 0K	-2554.412107
Energy at 298.15K	-2554.414605
HF Energy	-2554.412107
Nuclear repulsion energy	313.995757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3150	1.77
2	A₁	3252	3105	7.63
3	A₁	1516	1448	17.15
4	A₁	1405	1342	1.64
5	A₁	1113	1062	2.83
6	A₁	1059	1011	2.73
7	A₁	787	752	20.58
8	A₁	467	445	0.04
9	A₂	956	913	0.00
10	A₂	709	677	0.00
11	A₂	567	542	0.00
12	B₁	913	872	0.36
13	B₁	736	703	112.95
14	B₁	410	391	2.23
15	B₂	3298	3149	0.93
16	B₂	3237	3091	4.99
17	B₂	1610	1537	0.06
18	B₂	1284	1226	19.21
19	B₂	1113	1062	0.75
20	B₂	833	795	1.15
21	B₂	655	625	0.57

Atom	y (Å)	z (Å)
Se1	0.000	0.901
C2	1.279	-0.428
C3	-1.279	-0.428
C4	0.712	-1.663
C5	-0.712	-1.663
H6	2.332	-0.191
H7	-2.332	-0.191
H8	1.300	-2.574
H9	-1.300	-2.574

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8437	1.8437	2.6609	2.6609	2.5752	2.5752	3.7094	3.7094
C2	1.8437		2.5577	1.3594	2.3434	1.0796	3.6189	2.1463	3.3548
C3	1.8437	2.5577		2.3434	1.3594	3.6189	1.0796	3.3548	2.1463
C4	2.6609	1.3594	2.3434		1.4246	2.1889	3.3818	1.0835	2.2084
C5	2.6609	2.3434	1.3594	1.4246		3.3818	2.1889	2.2084	1.0835
H6	2.5752	1.0796	3.6189	2.1889	3.3818		4.6646	2.5966	4.3437
H7	2.5752	3.6189	1.0796	3.3818	2.1889	4.6646		4.3437	2.5966
H8	3.7094	2.1463	3.3548	1.0835	2.2084	2.5966	4.3437		2.5993
H9	3.7094	3.3548	2.1463	2.2084	1.0835	4.3437	2.5966	2.5993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.452	Se1	C2	H6	121.278
Se1	C3	C5	111.452	Se1	C3	H7	121.278
C2	Se1	C3	87.837	C2	C4	C5	114.630
C2	C4	H8	122.543	C3	C5	C4	114.630
C3	C5	H9	122.543	C4	C2	H6	127.270
C4	C5	H9	122.827	C5	C3	H7	127.270
C5	C4	H8	122.827

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: B1B95/6-31G**

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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Number	Element	Mulliken
1	Se	0.112
2	C	-0.276
3	C	-0.276
4	C	-0.136
5	C	-0.136
6	H	0.191
7	H	0.191
8	H	0.166
9	H	0.166

<r²>	141.000
(<r²>)^1/2	11.874

All results from a given calculation for C4H4Se (selenophene)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)