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	hartrees
Energy at 0K	-261.967781
Energy at 298.15K	-261.968681
HF Energy	-261.366823
Nuclear repulsion energy	159.604286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3179	3050	0.00
2	A_g	2272	2180	0.00
3	A_g	1687	1619	0.00
4	A_g	1363	1308	0.00
5	A_g	1029	987	0.00
6	A_g	524	503	0.00
7	A_g	242	232	0.00
8	A_u	976	936	56.86
9	A_u	489	469	0.64
10	A_u	117	112	15.57
11	B_g	860	825	0.00
12	B_g	309	297	0.00
13	B_u	3182	3053	2.37
14	B_u	2282	2189	2.52
15	B_u	1346	1291	0.22
16	B_u	1005	965	8.51
17	B_u	514	493	1.70
18	B_u	132	127	17.50

Atom	x (Å)	y (Å)
C1	-0.339	0.589
C2	0.339	-0.589
C3	0.339	1.869
C4	-0.339	-1.869
N5	0.881	2.921
N6	-0.881	-2.921
H7	-1.432	0.613
H8	1.432	-0.613

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3591	1.4492	2.4582	2.6319	3.5512	1.0927	2.1399
C2	1.3591		2.4582	1.4492	3.5512	2.6319	2.1399	1.0927
C3	1.4492	2.4582		3.7999	1.1828	4.9432	2.1716	2.7118
C4	2.4582	1.4492	3.7999		4.9432	1.1828	2.7118	2.1716
N5	2.6319	3.5512	1.1828	4.9432		6.1016	3.2675	3.5761
N6	3.5512	2.6319	4.9432	1.1828	6.1016		3.5761	3.2675
H7	1.0927	2.1399	2.1716	2.7118	3.2675	3.5761		3.1144
H8	2.1399	1.0927	2.7118	2.1716	3.5761	3.2675	3.1144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.141	C1	C2	H8	121.190
C1	C3	N5	179.345	C2	C1	C3	122.141
C2	C1	H7	121.190	C2	C4	N6	179.345
C3	C1	H7	116.669	C4	C2	H8	116.669

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCD/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: CCD/6-31G

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)