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	hartrees
Energy at 0K	-224.332040
Energy at 298.15K	-224.333612
HF Energy	-223.632337
Nuclear repulsion energy	123.637539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	2940	0.52
2	A₁	2218	2091	1.59
3	A₁	1512	1426	12.65
4	A₁	915	863	5.19
5	A₁	572	539	0.18
6	A₁	141	132	10.08
7	A₂	1272	1199	0.00
8	A₂	346	326	0.00
9	B₁	3170	2990	2.56
10	B₁	968	913	0.47
11	B₁	320	302	0.29
12	B₂	2223	2096	6.10
13	B₂	1379	1301	1.80
14	B₂	1005	948	5.65
15	B₂	348	328	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.851
C2	0.000	1.217	0.028
C3	0.000	-1.217	0.028
H4	0.884	0.000	1.496
H5	-0.884	0.000	1.496
N6	0.000	2.206	-0.603
N7	0.000	-2.206	-0.603

	C1	C2	C3	H4	H5	N6	N7
C1		1.4686	1.4686	1.0943	1.0943	2.6415	2.6415
C2	1.4686		2.4334	2.1013	2.1013	1.1731	3.4801
C3	1.4686	2.4334		2.1013	2.1013	3.4801	1.1731
H4	1.0943	2.1013	2.1013		1.7680	3.1702	3.1702
H5	1.0943	2.1013	2.1013	1.7680		3.1702	3.1702
N6	2.6415	1.1731	3.4801	3.1702	3.1702		4.4114
N7	2.6415	3.4801	1.1731	3.1702	3.1702	4.4114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	178.474	C1	C3	N7	178.474
C2	C1	C3	111.883	C2	C1	H4	109.276
C2	C1	H5	109.276	C3	C1	H4	109.276
C3	C1	H5	109.276	H4	C1	H5	107.763

All results from a given calculation for C₃H₂N₂ (Malononitrile)

using model chemistry: MP2/6-31G*

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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All results from a given calculation for C3H2N2 (Malononitrile)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C₃H₂N₂ (Malononitrile)