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	hartrees
Energy at 0K	-262.306357
Energy at 298.15K	-262.307355
HF Energy	-261.482786
Nuclear repulsion energy	160.838069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3249	3064	0.00
2	A_g	2179	2055	0.00
3	A_g	1679	1583	0.00
4	A_g	1352	1274	0.00
5	A_g	1043	983	0.00
6	A_g	530	500	0.00
7	A_g	246	232	0.00
8	A_u	987	930	52.85
9	A_u	525	495	3.75
10	A_u	124	117	15.47
11	B_g	846	798	0.00
12	B_g	360	339	0.00
13	B_u	3253	3068	6.76
14	B_u	2196	2071	14.32
15	B_u	1321	1246	1.14
16	B_u	1032	973	4.05
17	B_u	520	491	0.79
18	B_u	133	125	17.83

Atom	x (Å)	y (Å)
C1	0.132	-1.869
C2	-0.132	1.869
C3	-0.474	0.480
C4	0.474	-0.480
N5	-0.132	-3.021
N6	0.132	3.021
H7	-1.530	0.225
H8	1.530	-0.225

	C1	C2	C3	C4	N5	N6	H7	H8
C1		3.7470	2.4262	1.4297	1.1820	4.8897	2.6741	2.1576
C2	3.7470		1.4297	2.4262	4.8897	1.1820	2.1576	2.6741
C3	2.4262	1.4297		1.3493	3.5179	2.6117	1.0872	2.1247
C4	1.4297	2.4262	1.3493		2.6117	3.5179	2.1247	1.0872
N5	1.1820	4.8897	3.5179	2.6117		6.0475	3.5345	3.2526
N6	4.8897	1.1820	2.6117	3.5179	6.0475		3.2526	3.5345
H7	2.6741	2.1576	1.0872	2.1247	3.5345	3.2526		3.0939
H8	2.1576	2.6741	2.1247	1.0872	3.2526	3.5345	3.0939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	10.412	C1	C2	H8	34.397
C1	C3	N5	8.898	C2	C1	C3	10.412
C2	C1	H7	34.397	C2	C4	N6	8.898
C3	C1	H7	23.985	C4	C2	H8	23.985

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)