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	hartrees
Energy at 0K	-262.390109
Energy at 298.15K	-262.391083
HF Energy	-261.486654
Nuclear repulsion energy	160.839653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3211	3211
2	A_g	2280	2280
3	A_g	1672	1672
4	A_g	1338	1338
5	A_g	1030	1030
6	A_g	525	525
7	A_g	245	245
8	A_u	963	963
9	A_u	524	524
10	A_u	123	123
11	B_g	830	830
12	B_g	362	362
13	B_u	3214	3214
14	B_u	2290	2290
15	B_u	1312	1312
16	B_u	1018	1018
17	B_u	516	516
18	B_u	131	131

Atom	x (Å)	y (Å)
C1	-0.342	0.583
C2	0.342	-0.583
C3	0.342	1.848
C4	-0.342	-1.848
N5	0.888	2.889
N6	-0.888	-2.889
H7	-1.431	0.605
H8	1.431	-0.605

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3524	1.4377	2.4318	2.6125	3.5147	1.0893	2.1342
C2	1.3524		2.4318	1.4377	3.5147	2.6125	2.1342	1.0893
C3	1.4377	2.4318		3.7592	1.1749	4.8938	2.1650	2.6844
C4	2.4318	1.4377	3.7592		4.8938	1.1749	2.6844	2.1650
N5	2.6125	3.5147	1.1749	4.8938		6.0438	3.2542	3.5357
N6	3.5147	2.6125	4.8938	1.1749	6.0438		3.5357	3.2542
H7	1.0893	2.1342	2.1650	2.6844	3.2542	3.5357		3.1071
H8	2.1342	1.0893	2.6844	2.1650	3.5357	3.2542	3.1071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.259	C1	C2	H8	121.499
C1	C3	N5	179.318	C2	C1	C3	121.259
C2	C1	H7	121.499	C2	C4	N6	179.318
C3	C1	H7	117.242	C4	C2	H8	117.242

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)