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	hartrees
Energy at 0K	-262.441471
Energy at 298.15K	-262.442516
HF Energy	-261.571133
Nuclear repulsion energy	162.101610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3239	3091	0.00
2	A_g	2350	2243	0.00
3	A_g	1706	1628	0.00
4	A_g	1352	1290	0.00
5	A_g	1034	987	0.00
6	A_g	536	512	0.00
7	A_g	252	241	0.00
8	A_u	976	932	50.24
9	A_u	517	494	1.88
10	A_u	122	116	15.56
11	B_g	848	809	0.00
12	B_g	358	342	0.00
13	B_u	3243	3096	5.47
14	B_u	2358	2251	0.53
15	B_u	1319	1259	0.49
16	B_u	1017	971	7.94
17	B_u	532	508	1.16
18	B_u	136	129	18.18

Atom	x (Å)	y (Å)
C1	-0.339	0.577
C2	0.339	-0.577
C3	0.339	1.843
C4	-0.339	-1.843
N5	0.875	2.869
N6	-0.875	-2.869
H7	-1.422	0.600
H8	1.422	-0.600

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3392	1.4361	2.4198	2.5934	3.4871	1.0823	2.1185
C2	1.3392		2.4198	1.4361	3.4871	2.5934	2.1185	1.0823
C3	1.4361	2.4198		3.7472	1.1574	4.8653	2.1550	2.6720
C4	2.4198	1.4361	3.7472		4.8653	1.1574	2.6720	2.1550
N5	2.5934	3.4871	1.1574	4.8653		5.9982	3.2279	3.5118
N6	3.4871	2.5934	4.8653	1.1574	5.9982		3.5118	3.2279
H7	1.0823	2.1185	2.1550	2.6720	3.2279	3.5118		3.0864
H8	2.1185	1.0823	2.6720	2.1550	3.5118	3.2279	3.0864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.319	C1	C2	H8	121.698
C1	C3	N5	179.351	C2	C1	C3	121.319
C2	C1	H7	121.698	C2	C4	N6	179.351
C3	C1	H7	116.983	C4	C2	H8	116.983

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCSD/TZVP

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 C4H2N2 (Fumaronitrile)

using model chemistry: CCSD/TZVP

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)