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	hartrees
Energy at 0K	-224.331094
Energy at 298.15K	-224.332732
HF Energy	-223.640391
Nuclear repulsion energy	124.566309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	2937	0.48
2	A₁	2468	2317	0.05
3	A₁	1515	1422	13.67
4	A₁	927	870	7.66
5	A₁	592	555	0.21
6	A₁	145	136	10.34
7	A₂	1278	1200	0.00
8	A₂	359	337	0.00
9	B₁	3175	2980	2.22
10	B₁	974	914	0.37
11	B₁	333	312	0.39
12	B₂	2464	2313	0.14
13	B₂	1395	1309	2.42
14	B₂	1021	958	9.89
15	B₂	357	335	1.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.858
C2	0.000	1.221	0.035
C3	0.000	-1.221	0.035
H4	0.883	0.000	1.505
H5	-0.883	0.000	1.505
N6	0.000	2.181	-0.613
N7	0.000	-2.181	-0.613

	C1	C2	C3	H4	H5	N6	N7
C1		1.4725	1.4725	1.0945	1.0945	2.6304	2.6304
C2	1.4725		2.4415	2.1051	2.1051	1.1578	3.4625
C3	1.4725	2.4415		2.1051	2.1051	3.4625	1.1578
H4	1.0945	2.1051	2.1051		1.7660	3.1654	3.1654
H5	1.0945	2.1051	2.1051	1.7660		3.1654	3.1654
N6	2.6304	1.1578	3.4625	3.1654	3.1654		4.3613
N7	2.6304	3.4625	1.1578	3.1654	3.1654	4.3613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	180.000	C1	C3	N7	180.000
C2	C1	C3	111.996	C2	C1	H4	109.296
C2	C1	H5	109.296	C3	C1	H4	109.296
C3	C1	H5	109.296	H4	C1	H5	107.559

All results from a given calculation for C₃H₂N₂ (Malononitrile)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₃H₂N₂ (Malononitrile)