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	hartrees
Energy at 0K	-262.431066
Energy at 298.15K	-262.432131
HF Energy	-261.571872
Nuclear repulsion energy	162.298117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3246	3077	0.00
2	A_g	2370	2247	0.00
3	A_g	1716	1627	0.00
4	A_g	1356	1285	0.00
5	A_g	1040	986	0.00
6	A_g	540	512	0.00
7	A_g	253	240	0.00
8	A_u	981	930	50.85
9	A_u	520	493	2.03
10	A_u	123	116	15.64
11	B_g	856	811	0.00
12	B_g	361	342	0.00
13	B_u	3250	3081	5.49
14	B_u	2380	2256	0.95
15	B_u	1323	1255	0.34
16	B_u	1023	970	8.29
17	B_u	536	508	1.11
18	B_u	136	129	18.47

Atom	x (Å)	y (Å)
C1	-0.339	0.577
C2	0.339	-0.577
C3	0.339	1.841
C4	-0.339	-1.841
N5	0.874	2.865
N6	-0.874	-2.865
H7	-1.421	0.599
H8	1.421	-0.599

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3377	1.4350	2.4177	2.5901	3.4827	1.0820	2.1166
C2	1.3377		2.4177	1.4350	3.4827	2.5901	2.1166	1.0820
C3	1.4350	2.4177		3.7443	1.1551	4.8599	2.1540	2.6695
C4	2.4177	1.4350	3.7443		4.8599	1.1551	2.6695	2.1540
N5	2.5901	3.4827	1.1551	4.8599		5.9905	3.2249	3.5070
N6	3.4827	2.5901	4.8599	1.1551	5.9905		3.5070	3.2249
H7	1.0820	2.1166	2.1540	2.6695	3.2249	3.5070		3.0842
H8	2.1166	1.0820	2.6695	2.1540	3.5070	3.2249	3.0842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.332	C1	C2	H8	121.670
C1	C3	N5	179.392	C2	C1	C3	121.332
C2	C1	H7	121.670	C2	C4	N6	179.392
C3	C1	H7	116.998	C4	C2	H8	116.998

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCD/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: CCD/TZVP

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)