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	hartrees
Energy at 0K	-262.593305
Energy at 298.15K	-262.594264
HF Energy	-261.568369
Nuclear repulsion energy	161.697324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3214	3072
2	A_g	2279	2179
3	A_g	1657	1584
4	A_g	1334	1275
5	A_g	1022	977
6	A_g	528	505
7	A_g	244	233
8	A_u	951	909
9	A_u	499	477
10	A_u	118	113
11	B_g	821	785
12	B_g	347	332
13	B_u	3219	3077
14	B_u	2290	2189
15	B_u	1305	1248
16	B_u	1009	964
17	B_u	520	497
18	B_u	130	125

Atom	x (Å)	y (Å)
C1	-0.341	0.581
C2	0.341	-0.581
C3	0.341	1.842
C4	-0.341	-1.842
N5	0.886	2.871
N6	-0.886	-2.871
H7	-1.424	0.603
H8	1.424	-0.603

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3468	1.4339	2.4233	2.5983	3.4948	1.0837	2.1253
C2	1.3468		2.4233	1.4339	3.4948	2.5983	2.1253	1.0837
C3	1.4339	2.4233		3.7474	1.1644	4.8707	2.1567	2.6748
C4	2.4233	1.4339	3.7474		4.8707	1.1644	2.6748	2.1567
N5	2.5983	3.4948	1.1644	4.8707		6.0096	3.2377	3.5156
N6	3.4948	2.5983	4.8707	1.1644	6.0096		3.5156	3.2377
H7	1.0837	2.1253	2.1567	2.6748	3.2377	3.5156		3.0933
H8	2.1253	1.0837	2.6748	2.1567	3.5156	3.2377	3.0933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.223	C1	C2	H8	121.575
C1	C3	N5	179.565	C2	C1	C3	121.223
C2	C1	H7	121.575	C2	C4	N6	179.565
C3	C1	H7	117.202	C4	C2	H8	117.202

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCSD(T)=FULL/TZVP

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: CCSD(T)=FULL/TZVP

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)