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	hartrees
Energy at 0K	-262.646545
Energy at 298.15K	-262.639786
HF Energy	-261.495923
Nuclear repulsion energy	163.424624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3408	3211	0.00
2	A_g	2615	2463	0.00
3	A_g	1861	1753	0.00
4	A_g	1447	1363	0.00
5	A_g	1101	1038	0.00
6	A_g	579	546	0.00
7	A_g	283	267	0.00
8	A_u	1099	1035	59.08
9	A_u	619	583	5.42
10	A_u	141	133	20.23
11	B_g	976	920	0.00
12	B_g	428	403	0.00
13	B_u	3409	3212	5.40
14	B_u	2621	2469	24.47
15	B_u	1409	1328	1.53
16	B_u	1071	1009	15.68
17	B_u	594	559	1.19
18	B_u	150	141	23.30

Atom	x (Å)	y (Å)
C1	-0.340	0.583
C2	0.340	-0.583
C3	0.340	1.838
C4	-0.340	-1.838
N5	0.888	2.886
N6	-0.888	-2.886
H7	-1.426	0.598
H8	1.426	-0.598

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3493	1.4271	2.4210	2.6100	3.5122	1.0866	2.1243
C2	1.3493		2.4210	1.4271	3.5122	2.6100	2.1243	1.0866
C3	1.4271	2.4210		3.7384	1.1829	4.8812	2.1576	2.6675
C4	2.4210	1.4271	3.7384		4.8812	1.1829	2.6675	2.1576
N5	2.6100	3.5122	1.1829	4.8812		6.0395	3.2543	3.5256
N6	3.5122	2.6100	4.8812	1.1829	6.0395		3.5256	3.2543
H7	1.0866	2.1243	2.1576	2.6675	3.2543	3.5256		3.0929
H8	2.1243	1.0866	2.6675	2.1576	3.5256	3.2543	3.0929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.469	C1	C2	H8	122.029
C1	C3	N5	179.169	C2	C1	C3	121.469
C2	C1	H7	122.029	C2	C4	N6	179.169
C3	C1	H7	116.503	C4	C2	H8	116.503

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: G2

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: G2

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)