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	hartrees
Energy at 0K	-262.658554
Energy at 298.15K	-262.651874
HF Energy	-261.495281
Nuclear repulsion energy	163.330915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3395	3395	0.00
2	A_g	2619	2619	0.00
3	A_g	1858	1858	0.00
4	A_g	1437	1437	0.00
5	A_g	1097	1097	0.00
6	A_g	579	579	0.00
7	A_g	283	283	0.00
8	A_u	1092	1092	53.89
9	A_u	617	617	5.71
10	A_u	141	141	20.29
11	B_g	965	965	0.00
12	B_g	428	428	0.00
13	B_u	3396	3396	5.86
14	B_u	2625	2625	29.51
15	B_u	1396	1396	1.83
16	B_u	1069	1069	15.73
17	B_u	593	593	1.34
18	B_u	149	149	23.40

Atom	x (Å)	y (Å)
C1	-0.338	0.570
C2	0.338	-0.570
C3	0.338	1.844
C4	-0.338	-1.844
N5	0.853	2.855
N6	-0.853	-2.855
H7	-1.413	0.596
H8	1.413	-0.596

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3251	1.4418	2.4143	2.5764	3.4638	1.0762	2.1039
C2	1.3251		2.4143	1.4418	3.4638	2.5764	2.1039	1.0762
C3	1.4418	2.4143		3.7496	1.1347	4.8477	2.1500	2.6672
C4	2.4143	1.4418	3.7496		4.8477	1.1347	2.6672	2.1500
N5	2.5764	3.4638	1.1347	4.8477		5.9595	3.1995	3.4968
N6	3.4638	2.5764	4.8477	1.1347	5.9595		3.4968	3.1995
H7	1.0762	2.1039	2.1500	2.6672	3.1995	3.4968		3.0681
H8	2.1039	1.0762	2.6672	2.1500	3.4968	3.1995	3.0681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.458	C1	C2	H8	122.024
C1	C3	N5	179.085	C2	C1	C3	121.458
C2	C1	H7	122.024	C2	C4	N6	179.085
C3	C1	H7	116.518	C4	C2	H8	116.518

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)