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	hartrees
Energy at 0K	-262.567090
Energy at 298.15K	-262.568120
HF Energy	-261.581887
Nuclear repulsion energy	161.736667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3232	3075	0.00
2	A_g	2168	2063	0.00
3	A_g	1653	1573	0.00
4	A_g	1326	1261	0.00
5	A_g	1026	976	0.00
6	A_g	527	502	0.00
7	A_g	244	232	0.00
8	A_u	987	939	47.58
9	A_u	538	512	2.24
10	A_u	125	119	15.53
11	B_g	849	808	0.00
12	B_g	367	350	0.00
13	B_u	3237	3080	9.71
14	B_u	2186	2080	11.66
15	B_u	1292	1229	0.75
16	B_u	1021	971	4.13
17	B_u	519	494	0.90
18	B_u	131	125	18.67

Atom	x (Å)	y (Å)
C1	-0.339	0.579
C2	0.339	-0.579
C3	0.339	1.837
C4	-0.339	-1.837
N5	0.875	2.872
N6	-0.875	-2.872
H7	-1.419	0.605
H8	1.419	-0.605

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3419	1.4294	2.4165	2.5947	3.4927	1.0808	2.1197
C2	1.3419		2.4165	1.4294	3.4927	2.5947	2.1197	1.0808
C3	1.4294	2.4165		3.7369	1.1654	4.8637	2.1475	2.6704
C4	2.4165	1.4294	3.7369		4.8637	1.1654	2.6704	2.1475
N5	2.5947	3.4927	1.1654	4.8637		6.0052	3.2258	3.5194
N6	3.4927	2.5947	4.8637	1.1654	6.0052		3.5194	3.2258
H7	1.0808	2.1197	2.1475	2.6704	3.2258	3.5194		3.0857
H8	2.1197	1.0808	2.6704	2.1475	3.5194	3.2258	3.0857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.346	C1	C2	H8	121.700
C1	C3	N5	179.063	C2	C1	C3	121.346
C2	C1	H7	121.700	C2	C4	N6	179.063
C3	C1	H7	116.953	C4	C2	H8	116.953

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)