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	hartrees
Energy at 0K	-262.388749
Energy at 298.15K	-262.389724
HF Energy	-261.486909
Nuclear repulsion energy	160.886376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3212	3118
2	A_g	2285	2218
3	A_g	1674	1625
4	A_g	1339	1300
5	A_g	1031	1001
6	A_g	526	511
7	A_g	245	238
8	A_u	963	935
9	A_u	524	508
10	A_u	123	120
11	B_g	830	806
12	B_g	362	352
13	B_u	3215	3121
14	B_u	2296	2228
15	B_u	1312	1274
16	B_u	1020	990
17	B_u	517	501
18	B_u	131	127

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	2.888
N6	-0.888	-2.888
H7	-1.431	0.605
H8	1.431	-0.605

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3522	1.4374	2.4313	2.6116	3.5136	1.0892	2.1340
C2	1.3522		2.4313	1.4374	3.5136	2.6116	2.1340	1.0892
C3	1.4374	2.4313		3.7585	1.1743	4.8925	2.1647	2.6840
C4	2.4313	1.4374	3.7585		4.8925	1.1743	2.6840	2.1647
N5	2.6116	3.5136	1.1743	4.8925		6.0419	3.2533	3.5347
N6	3.5136	2.6116	4.8925	1.1743	6.0419		3.5347	3.2533
H7	1.0892	2.1340	2.1647	2.6840	3.2533	3.5347		3.1068
H8	2.1340	1.0892	2.6840	2.1647	3.5347	3.2533	3.1068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.254	C1	C2	H8	121.505
C1	C3	N5	179.316	C2	C1	C3	121.254
C2	C1	H7	121.505	C2	C4	N6	179.316
C3	C1	H7	117.241	C4	C2	H8	117.241

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

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

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)