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	hartrees
Energy at 0K	-262.622280
Energy at 298.15K	-262.623290
HF Energy	-261.576174
Nuclear repulsion energy	161.618517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3209	3128
2	A_g	2267	2210
3	A_g	1657	1615
4	A_g	1318	1284
5	A_g	1013	988
6	A_g	522	509
7	A_g	243	237
8	A_u	974	949
9	A_u	530	517
10	A_u	123	120
11	B_g	842	821
12	B_g	364	355
13	B_u	3212	3131
14	B_u	2278	2220
15	B_u	1283	1251
16	B_u	1006	981
17	B_u	514	501
18	B_u	130	126

Atom	x (Å)	y (Å)
C1	-0.340	0.581
C2	0.340	-0.581
C3	0.340	1.844
C4	-0.340	-1.844
N5	0.876	2.879
N6	-0.876	-2.879
H7	-1.422	0.601
H8	1.422	-0.601

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3468	1.4346	2.4257	2.5992	3.5010	1.0822	2.1221
C2	1.3468		2.4257	1.4346	3.5010	2.5992	2.1221	1.0822
C3	1.4346	2.4257		3.7510	1.1647	4.8770	2.1565	2.6744
C4	2.4257	1.4346	3.7510		4.8770	1.1647	2.6744	2.1565
N5	2.5992	3.5010	1.1647	4.8770		6.0177	3.2352	3.5224
N6	3.5010	2.5992	4.8770	1.1647	6.0177		3.5224	3.2352
H7	1.0822	2.1221	2.1565	2.6744	3.2352	3.5224		3.0880
H8	2.1221	1.0822	2.6744	2.1565	3.5224	3.2352	3.0880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.376	C1	C2	H8	121.389
C1	C3	N5	179.098	C2	C1	C3	121.376
C2	C1	H7	121.389	C2	C4	N6	179.098
C3	C1	H7	117.235	C4	C2	H8	117.235

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

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

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-pVTZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)