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	hartrees
Energy at 0K	-2554.169933
Energy at 298.15K	-2554.172248
HF Energy	-2554.169933
Nuclear repulsion energy	308.569851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3184	3167	1.23
2	A₁	3131	3114	10.00
3	A₁	1415	1408	12.34
4	A₁	1336	1329	4.51
5	A₁	1078	1073	2.53
6	A₁	1010	1005	3.40
7	A₁	743	739	18.52
8	A₁	448	445	0.12
9	A₂	896	891	0.00
10	A₂	662	659	0.00
11	A₂	540	537	0.00
12	B₁	859	854	0.03
13	B₁	694	690	139.36
14	B₁	420	418	2.43
15	B₂	3182	3165	1.82
16	B₂	3117	3101	4.91
17	B₂	1504	1496	1.23
18	B₂	1232	1226	21.39
19	B₂	1078	1072	1.63
20	B₂	806	802	0.94
21	B₂	584	581	1.21

Atom	y (Å)	z (Å)
Se1	0.000	0.920
C2	1.298	-0.444
C3	-1.298	-0.444
C4	0.720	-1.695
C5	-0.720	-1.695
H6	2.358	-0.198
H7	-2.358	-0.198
H8	1.312	-2.613
H9	-1.312	-2.613

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8828	1.8828	2.7121	2.7121	2.6094	2.6094	3.7688	3.7688
C2	1.8828		2.5966	1.3781	2.3750	1.0878	3.6645	2.1697	3.3939
C3	1.8828	2.5966		2.3750	1.3781	3.6645	1.0878	3.3939	2.1697
C4	2.7121	1.3781	2.3750		1.4408	2.2187	3.4230	1.0923	2.2299
C5	2.7121	2.3750	1.3781	1.4408		3.4230	2.2187	2.2299	1.0923
H6	2.6094	1.0878	3.6645	2.2187	3.4230		4.7158	2.6325	4.3932
H7	2.6094	3.6645	1.0878	3.4230	2.2187	4.7158		4.3932	2.6325
H8	3.7688	2.1697	3.3939	1.0923	2.2299	2.6325	4.3932		2.6231
H9	3.7688	3.3939	2.1697	2.2299	1.0923	4.3932	2.6325	2.6231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.613	Se1	C2	H6	120.529
Se1	C3	C5	111.613	Se1	C3	H7	120.529
C2	Se1	C3	87.191	C2	C4	C5	114.792
C2	C4	H8	122.443	C3	C5	C4	114.792
C3	C5	H9	122.443	C4	C2	H6	127.859
C4	C5	H9	122.765	C5	C3	H7	127.859
C5	C4	H8	122.765

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: BLYP/6-31+G**

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	0.087
2	C	-0.215
3	C	-0.215
4	C	-0.083
5	C	-0.083
6	H	0.138
7	H	0.138
8	H	0.117
9	H	0.117

<r²>	146.205
(<r²>)^1/2	12.092

All results from a given calculation for C4H4Se (selenophene)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)