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	hartrees
Energy at 0K	-262.649238
Energy at 298.15K	-262.650341
HF Energy	-261.574214
Nuclear repulsion energy	162.357181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3250	3086	0.00
2	A_g	2189	2078	0.00
3	A_g	1673	1589	0.00
4	A_g	1328	1261	0.00
5	A_g	1027	975	0.00
6	A_g	528	501	0.00
7	A_g	244	232	0.00
8	A_u	1014	962	48.84
9	A_u	559	530	2.03
10	A_u	129	123	15.31
11	B_g	902	857	0.00
12	B_g	384	364	0.00
13	B_u	3253	3088	9.09
14	B_u	2207	2096	10.47
15	B_u	1295	1229	0.96
16	B_u	1032	980	3.53
17	B_u	517	491	0.86
18	B_u	132	125	18.19

Atom	x (Å)	y (Å)
C1	-0.335	0.580
C2	0.335	-0.580
C3	0.335	1.828
C4	-0.335	-1.828
N5	0.870	2.868
N6	-0.870	-2.868
H7	-1.411	0.592
H8	1.411	-0.592

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3400	1.4161	2.4083	2.5859	3.4899	1.0763	2.1030
C2	1.3400		2.4083	1.4161	3.4899	2.5859	2.1030	1.0763
C3	1.4161	2.4083		3.7169	1.1699	4.8485	2.1392	2.6486
C4	2.4083	1.4161	3.7169		4.8485	1.1699	2.6486	2.1392
N5	2.5859	3.4899	1.1699	4.8485		5.9948	3.2225	3.5025
N6	3.4899	2.5859	4.8485	1.1699	5.9948		3.5025	3.2225
H7	1.0763	2.1030	2.1392	2.6486	3.2225	3.5025		3.0605
H8	2.1030	1.0763	2.6486	2.1392	3.5025	3.2225	3.0605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.786	C1	C2	H8	120.615
C1	C3	N5	178.990	C2	C1	C3	121.786
C2	C1	H7	120.615	C2	C4	N6	178.990
C3	C1	H7	117.599	C4	C2	H8	117.599

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)