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	hartrees
Energy at 0K	-262.385655
Energy at 298.15K	-262.386605
HF Energy	-261.505950
Nuclear repulsion energy	159.843680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3213	3145
2	A_g	2255	2207
3	A_g	1655	1620
4	A_g	1303	1275
5	A_g	1009	988
6	A_g	517	507
7	A_g	240	235
8	A_u	956	936
9	A_u	518	507
10	A_u	121	118
11	B_g	812	795
12	B_g	357	349
13	B_u	3217	3148
14	B_u	2265	2217
15	B_u	1267	1240
16	B_u	1007	986
17	B_u	505	494
18	B_u	128	126

Atom	x (Å)	y (Å)
C1	-0.344	0.588
C2	0.344	-0.588
C3	0.344	1.862
C4	-0.344	-1.862
N5	0.891	2.908
N6	-0.891	-2.908
H7	-1.441	0.609
H8	1.441	-0.609

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3619	1.4482	2.4501	2.6278	3.5378	1.0969	2.1485
C2	1.3619		2.4501	1.4482	3.5378	2.6278	2.1485	1.0969
C3	1.4482	2.4501		3.7876	1.1797	4.9270	2.1805	2.7038
C4	2.4501	1.4482	3.7876		4.9270	1.1797	2.7038	2.1805
N5	2.6278	3.5378	1.1797	4.9270		6.0818	3.2738	3.5593
N6	3.5378	2.6278	4.9270	1.1797	6.0818		3.5593	3.2738
H7	1.0969	2.1485	2.1805	2.7038	3.2738	3.5593		3.1280
H8	2.1485	1.0969	2.7038	2.1805	3.5593	3.2738	3.1280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.331	C1	C2	H8	121.436
C1	C3	N5	179.278	C2	C1	C3	121.331
C2	C1	H7	121.436	C2	C4	N6	179.278
C3	C1	H7	117.234	C4	C2	H8	117.234

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCSD(T)/cc-pVDZ

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)/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)