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	hartrees
Energy at 0K	-2554.591186
Energy at 298.15K	-2554.593699
HF Energy	-2553.709830
Nuclear repulsion energy	312.313147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	3130	2.60
2	A₁	3236	3092	4.46
3	A₁	1493	1427	21.31
4	A₁	1400	1338	0.71
5	A₁	1113	1064	3.27
6	A₁	1041	994	1.29
7	A₁	785	750	20.74
8	A₁	468	447	0.03
9	A₂	941	899	0.00
10	A₂	716	684	0.00
11	A₂	553	529	0.00
12	B₁	920	879	0.01
13	B₁	729	696	121.91
14	B₁	404	386	1.46
15	B₂	3273	3127	0.68
16	B₂	3222	3078	3.62
17	B₂	1595	1524	0.20
18	B₂	1294	1236	17.01
19	B₂	1118	1068	0.63
20	B₂	843	806	1.15
21	B₂	654	624	0.56

Atom	y (Å)	z (Å)
Se1	0.000	0.908
C2	1.283	-0.437
C3	-1.283	-0.437
C4	0.718	-1.672
C5	-0.718	-1.672
H6	2.334	-0.203
H7	-2.334	-0.203
H8	1.303	-2.580
H9	-1.303	-2.580

	Se1	C2	C3	C4	C5	H6	H7	H8	H9
Se1		1.8584	1.8584	2.6782	2.6782	2.5850	2.5850	3.7234	3.7234
C2	1.8584		2.5658	1.3587	2.3515	1.0766	3.6243	2.1436	3.3586
C3	1.8584	2.5658		2.3515	1.3587	3.6243	1.0766	3.3586	2.1436
C4	2.6782	1.3587	2.3515		1.4356	2.1840	3.3869	1.0800	2.2152
C5	2.6782	2.3515	1.3587	1.4356		3.3869	2.1840	2.2152	1.0800
H6	2.5850	1.0766	3.6243	2.1840	3.3869		4.6678	2.5909	4.3446
H7	2.5850	3.6243	1.0766	3.3869	2.1840	4.6678		4.3446	2.5909
H8	3.7234	2.1436	3.3586	1.0800	2.2152	2.5909	4.3446		2.6056
H9	3.7234	3.3586	2.1436	2.2152	1.0800	4.3446	2.5909	2.6056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	C4	111.770	Se1	C2	H6	121.132
Se1	C3	C5	111.770	Se1	C3	H7	121.132
C2	Se1	C3	87.308	C2	C4	C5	114.576
C2	C4	H8	122.628	C3	C5	C4	114.576
C3	C5	H9	122.628	C4	C2	H6	127.097
C4	C5	H9	122.796	C5	C3	H7	127.097
C5	C4	H8	122.796

All results from a given calculation for C₄H₄Se (selenophene)

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄Se (selenophene)