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	hartrees
Energy at 0K	-42.893392
Energy at 298.15K	-42.894286
HF Energy	-42.285822
Nuclear repulsion energy	76.817671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3156	3080	0.00
2	A_g	1990	1942	0.00
3	A_g	1595	1556	0.00
4	A_g	1334	1302	0.00
5	A_g	994	970	0.00
6	A_g	503	491	0.00
7	A_g	233	227	0.00
8	A_u	952	929	62.19
9	A_u	504	492	0.05
10	A_u	120	117	12.97
11	B_g	838	818	0.00
12	B_g	333	325	0.00
13	B_u	3159	3084	3.80
14	B_u	2005	1956	25.00
15	B_u	1312	1280	0.21
16	B_u	961	938	4.51
17	B_u	495	483	3.89
18	B_u	126	123	15.14

Atom	x (Å)	y (Å)
C1	-0.348	0.595
C2	0.348	-0.595
C3	0.348	1.882
C4	-0.348	-1.882
N5	0.915	2.960
N6	-0.915	-2.960
H7	-1.441	0.615
H8	1.441	-0.615

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3791	1.4628	2.4776	2.6811	3.6008	1.0930	2.1594
C2	1.3791		2.4776	1.4628	3.6008	2.6811	2.1594	1.0930
C3	1.4628	2.4776		3.8281	1.2183	5.0045	2.1920	2.7256
C4	2.4776	1.4628	3.8281		5.0045	1.2183	2.7256	2.1920
N5	2.6811	3.6008	1.2183	5.0045		6.1972	3.3243	3.6136
N6	3.6008	2.6811	5.0045	1.2183	6.1972		3.6136	3.3243
H7	1.0930	2.1594	2.1920	2.7256	3.3243	3.6136		3.1326
H8	2.1594	1.0930	2.7256	2.1920	3.6136	3.3243	3.1326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.314	C1	C2	H8	121.307
C1	C3	N5	179.352	C2	C1	C3	121.314
C2	C1	H7	121.307	C2	C4	N6	179.352
C3	C1	H7	117.379	C4	C2	H8	117.379

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)