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	hartrees
Energy at 0K	-260.628688
Energy at 298.15K	-260.629981
HF Energy	-260.024579
Nuclear repulsion energy	160.504676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3166	3068	0.00
2	A_g	2280	2209	0.00
3	A_g	1662	1611	0.00
4	A_g	1366	1324	0.00
5	A_g	1015	984	0.00
6	A_g	544	528	0.00
7	A_g	287	279	0.00
8	A_u	983	953	60.96
9	A_u	609	590	0.48
10	A_u	135	131	11.54
11	B_g	883	856	0.00
12	B_g	431	418	0.00
13	B_u	3171	3073	3.34
14	B_u	2287	2217	3.62
15	B_u	1357	1315	1.80
16	B_u	983	953	7.18
17	B_u	572	554	1.68
18	B_u	150	145	14.38

Atom	x (Å)	y (Å)
C1	-0.338	0.585
C2	0.338	-0.585
C3	0.338	1.859
C4	-0.338	-1.859
N5	0.880	2.901
N6	-0.880	-2.901
H7	-1.428	0.608
H8	1.428	-0.608

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3519	1.4424	2.4441	2.6172	3.5283	1.0899	2.1316
C2	1.3519		2.4441	1.4424	3.5283	2.6172	2.1316	1.0899
C3	1.4424	2.4441		3.7790	1.1748	4.9138	2.1644	2.6970
C4	2.4441	1.4424	3.7790		4.9138	1.1748	2.6970	2.1644
N5	2.6172	3.5283	1.1748	4.9138		6.0638	3.2538	3.5518
N6	3.5283	2.6172	4.9138	1.1748	6.0638		3.5518	3.2538
H7	1.0899	2.1316	2.1644	2.6970	3.2538	3.5518		3.1041
H8	2.1316	1.0899	2.6970	2.1644	3.5518	3.2538	3.1041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.983	C1	C2	H8	121.241
C1	C3	N5	179.494	C2	C1	C3	121.983
C2	C1	H7	121.241	C2	C4	N6	179.494
C3	C1	H7	116.776	C4	C2	H8	116.776

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)