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	hartrees
Energy at 0K	-262.166041
Energy at 298.15K	-262.167273
HF Energy	-261.494517
Nuclear repulsion energy	162.705892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3343	3088	0.00
2	A_g	2499	2308	0.00
3	A_g	1808	1670	0.00
4	A_g	1403	1296	0.00
5	A_g	1080	998	0.00
6	A_g	562	519	0.00
7	A_g	268	247	0.00
8	A_u	1046	966	56.96
9	A_u	577	533	4.58
10	A_u	133	123	18.21
11	B_g	923	852	0.00
12	B_g	397	367	0.00
13	B_u	3344	3089	6.90
14	B_u	2503	2312	4.73
15	B_u	1367	1263	1.63
16	B_u	1062	981	10.78
17	B_u	563	520	0.84
18	B_u	143	132	21.01

Atom	x (Å)	y (Å)
C1	-0.338	0.573
C2	0.338	-0.573
C3	0.338	1.838
C4	-0.338	-1.838
N5	0.867	2.861
N6	-0.867	-2.861
H7	-1.417	0.597
H8	1.417	-0.597

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3304	1.4349	2.4113	2.5857	3.4740	1.0790	2.1091
C2	1.3304		2.4113	1.4349	3.4740	2.5857	2.1091	1.0790
C3	1.4349	2.4113		3.7385	1.1509	4.8511	2.1499	2.6634
C4	2.4113	1.4349	3.7385		4.8511	1.1509	2.6634	2.1499
N5	2.5857	3.4740	1.1509	4.8511		5.9782	3.2156	3.5010
N6	3.4740	2.5857	4.8511	1.1509	5.9782		3.5010	3.2156
H7	1.0790	2.1091	2.1499	2.6634	3.2156	3.5010		3.0749
H8	2.1091	1.0790	2.6634	2.1499	3.5010	3.2156	3.0749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.329	C1	C2	H8	121.820
C1	C3	N5	179.217	C2	C1	C3	121.329
C2	C1	H7	121.820	C2	C4	N6	179.217
C3	C1	H7	116.851	C4	C2	H8	116.851

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)