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	hartrees
Energy at 0K	-262.965019
Energy at 298.15K	-262.958321
HF Energy	-263.084659
Nuclear repulsion energy	162.367029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3191	3079	0.00
2	A_g	2334	2252	0.00
3	A_g	1668	1609	0.00
4	A_g	1322	1276	0.00
5	A_g	1021	986	0.00
6	A_g	542	523	0.00
7	A_g	260	251	0.00
8	A_u	989	954	38.12
9	A_u	573	553	3.92
10	A_u	130	125	16.65
11	B_g	879	848	0.00
12	B_g	400	386	0.00
13	B_u	3197	3085	5.20
14	B_u	2351	2269	2.55
15	B_u	1289	1243	1.90
16	B_u	1028	992	7.18
17	B_u	544	525	0.75
18	B_u	137	132	18.83

Atom	x (Å)	y (Å)
C1	-0.332	0.584
C2	0.332	-0.584
C3	0.332	1.840
C4	-0.332	-1.840
N5	0.855	2.874
N6	-0.855	-2.874
H7	-1.417	0.607
H8	1.417	-0.607

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3432	1.4212	2.4234	2.5793	3.4964	1.0852	2.1165
C2	1.3432		2.4234	1.4212	3.4964	2.5793	2.1165	1.0852
C3	1.4212	2.4234		3.7392	1.1582	4.8605	2.1400	2.6769
C4	2.4234	1.4212	3.7392		4.8605	1.1582	2.6769	2.1400
N5	2.5793	3.4964	1.1582	4.8605		5.9959	3.2088	3.5261
N6	3.4964	2.5793	4.8605	1.1582	5.9959		3.5261	3.2088
H7	1.0852	2.1165	2.1400	2.6769	3.2088	3.5261		3.0838
H8	2.1165	1.0852	2.6769	2.1400	3.5261	3.2088	3.0838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.057	C1	C2	H8	121.658
C1	C3	N5	179.013	C2	C1	C3	122.057
C2	C1	H7	121.658	C2	C4	N6	179.013
C3	C1	H7	116.285	C4	C2	H8	116.285

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: G4

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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Number	Element	Mulliken
1	C	-0.163
2	C	-0.163
3	C	0.285
4	C	0.285
5	N	-0.296
6	N	-0.296
7	H	0.175
8	H	0.175

<r²>	202.493
(<r²>)^1/2	14.230

All results from a given calculation for C4H2N2 (Fumaronitrile)

using model chemistry: G4

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)