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	hartrees
Energy at 0K	-262.965207
Energy at 298.15K	-262.966347
HF Energy	-262.965207
Nuclear repulsion energy	162.249072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3225	3065	0.00
2	A_g	2413	2293	0.00
3	A_g	1725	1640	0.00
4	A_g	1326	1260	0.00
5	A_g	1036	984	0.00
6	A_g	544	517	0.00
7	A_g	258	245	0.00
8	A_u	992	943	53.07
9	A_u	571	543	3.93
10	A_u	125	119	15.71
11	B_g	880	836	0.00
12	B_g	391	371	0.00
13	B_u	3228	3067	10.62
14	B_u	2424	2304	4.37
15	B_u	1285	1222	2.46
16	B_u	1032	981	9.27
17	B_u	546	519	0.77
18	B_u	140	133	18.14

Atom	x (Å)	y (Å)
C1	-0.339	0.577
C2	0.339	-0.577
C3	0.339	1.839
C4	-0.339	-1.839
N5	0.874	2.865
N6	-0.874	-2.865
H7	-1.424	0.599
H8	1.424	-0.599

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3390	1.4330	2.4164	2.5899	3.4837	1.0851	2.1196
C2	1.3390		2.4164	1.4330	3.4837	2.5899	2.1196	1.0851
C3	1.4330	2.4164		3.7406	1.1569	4.8585	2.1561	2.6686
C4	2.4164	1.4330	3.7406		4.8585	1.1569	2.6686	2.1561
N5	2.5899	3.4837	1.1569	4.8585		5.9912	3.2277	3.5075
N6	3.4837	2.5899	4.8585	1.1569	5.9912		3.5075	3.2277
H7	1.0851	2.1196	2.1561	2.6686	3.2277	3.5075		3.0899
H8	2.1196	1.0851	2.6686	2.1561	3.5075	3.2277	3.0899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.279	C1	C2	H8	121.600
C1	C3	N5	179.252	C2	C1	C3	121.279
C2	C1	H7	121.600	C2	C4	N6	179.252
C3	C1	H7	117.122	C4	C2	H8	117.122

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.072
2	C	-0.072
3	C	0.296
4	C	0.296
5	N	-0.435
6	N	-0.435
7	H	0.210
8	H	0.210

	x	y	z
x	5.504	1.886	0.000
y	1.886	13.015	0.000
z	0.000	0.000	3.036

<r²>	202.359
(<r²>)^1/2	14.225

All results from a given calculation for C4H2N2 (Fumaronitrile)

using model chemistry: M06-2X/6-31G**

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)