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	hartrees
Energy at 0K	-261.975588
Energy at 298.15K	-261.976441
HF Energy	-261.358134
Nuclear repulsion energy	158.865873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3207	3047	0.00
2	A_g	2081	1977	0.00
3	A_g	1650	1568	0.00
4	A_g	1368	1300	0.00
5	A_g	1024	972	0.00
6	A_g	519	493	0.00
7	A_g	237	225	0.00
8	A_u	989	939	59.93
9	A_u	482	458	0.59
10	A_u	114	108	14.58
11	B_g	856	813	0.00
12	B_g	297	282	0.00
13	B_u	3211	3051	2.54
14	B_u	2095	1991	18.12
15	B_u	1350	1283	0.39
16	B_u	995	946	3.37
17	B_u	507	482	2.18
18	B_u	130	123	16.04

Atom	x (Å)	y (Å)
C1	-0.339	0.591
C2	0.339	-0.591
C3	0.339	1.865
C4	-0.339	-1.865
N5	0.893	2.934
N6	-0.893	-2.934
H7	-1.429	0.608
H8	1.429	-0.608

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3629	1.4424	2.4562	2.6464	3.5684	1.0905	2.1365
C2	1.3629		2.4562	1.4424	3.5684	2.6464	2.1365	1.0905
C3	1.4424	2.4562		3.7907	1.2041	4.9541	2.1687	2.7030
C4	2.4562	1.4424	3.7907		4.9541	1.2041	2.7030	2.1687
N5	2.6464	3.5684	1.2041	4.9541		6.1333	3.2861	3.5826
N6	3.5684	2.6464	4.9541	1.2041	6.1333		3.5826	3.2861
H7	1.0905	2.1365	2.1687	2.7030	3.2861	3.5826		3.1065
H8	2.1365	1.0905	2.7030	2.1687	3.5826	3.2861	3.1065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.191	C1	C2	H8	120.701
C1	C3	N5	179.395	C2	C1	C3	122.191
C2	C1	H7	120.701	C2	C4	N6	179.395
C3	C1	H7	117.108	C4	C2	H8	117.108

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2=FULL/6-31G

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=FULL/6-31G

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)