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	hartrees
Energy at 0K	-260.665149
Energy at 298.15K	-260.666387
HF Energy	-260.019189
Nuclear repulsion energy	159.876700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3157	3090
2	A_g	2133	2087
3	A_g	1622	1587
4	A_g	1355	1326
5	A_g	1005	984
6	A_g	537	526
7	A_g	282	276
8	A_u	973	953
9	A_u	599	586
10	A_u	133	130
11	B_g	865	846
12	B_g	422	413
13	B_u	3163	3096
14	B_u	2149	2103
15	B_u	1349	1321
16	B_u	971	951
17	B_u	563	551
18	B_u	146	143

Atom	x (Å)	y (Å)
C1	-0.339	0.589
C2	0.339	-0.589
C3	0.339	1.859
C4	-0.339	-1.859
N5	0.891	2.910
N6	-0.891	-2.910
H7	-1.429	0.609
H8	1.429	-0.609

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3579	1.4398	2.4477	2.6274	3.5423	1.0909	2.1354
C2	1.3579		2.4477	1.4398	3.5423	2.6274	2.1354	1.0909
C3	1.4398	2.4477		3.7795	1.1876	4.9255	2.1649	2.6988
C4	2.4477	1.4398	3.7795		4.9255	1.1876	2.6988	2.1649
N5	2.6274	3.5423	1.1876	4.9255		6.0875	3.2678	3.5607
N6	3.5423	2.6274	4.9255	1.1876	6.0875		3.5607	3.2678
H7	1.0909	2.1354	2.1649	2.6988	3.2678	3.5607		3.1074
H8	2.1354	1.0909	2.6988	2.1649	3.5607	3.2678	3.1074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.039	C1	C2	H8	121.008
C1	C3	N5	179.677	C2	C1	C3	122.039
C2	C1	H7	121.008	C2	C4	N6	179.677
C3	C1	H7	116.953	C4	C2	H8	116.953

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)