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	hartrees
Energy at 0K	-224.423662
Energy at 298.15K	-224.425290
HF Energy	-223.685310
Nuclear repulsion energy	124.000498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3106	2952	0.07
2	A₁	2205	2095	1.94
3	A₁	1473	1400	11.49
4	A₁	908	863	5.30
5	A₁	578	549	0.11
6	A₁	143	136	9.34
7	A₂	1257	1194	0.00
8	A₂	354	337	0.00
9	B₁	3158	3001	2.42
10	B₁	945	898	0.05
11	B₁	328	312	0.08
12	B₂	2211	2101	6.77
13	B₂	1351	1284	2.93
14	B₂	996	946	4.92
15	B₂	361	343	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.855
C2	0.000	1.217	0.033
C3	0.000	-1.217	0.033
H4	0.884	0.000	1.499
H5	-0.884	0.000	1.499
N6	0.000	2.199	-0.609
N7	0.000	-2.199	-0.609

	C1	C2	C3	H4	H5	N6	N7
C1		1.4680	1.4680	1.0944	1.0944	2.6413	2.6413
C2	1.4680		2.4331	2.1005	2.1005	1.1734	3.4753
C3	1.4680	2.4331		2.1005	2.1005	3.4753	1.1734
H4	1.0944	2.1005	2.1005		1.7687	3.1719	3.1719
H5	1.0944	2.1005	2.1005	1.7687		3.1719	3.1719
N6	2.6413	1.1734	3.4753	3.1719	3.1719		4.3980
N7	2.6413	3.4753	1.1734	3.1719	3.1719	4.3980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	179.111	C1	C3	N7	179.111
C2	C1	C3	111.933	C2	C1	H4	109.250
C2	C1	H5	109.250	C3	C1	H4	109.250
C3	C1	H5	109.250	H4	C1	H5	107.817

All results from a given calculation for C₃H₂N₂ (Malononitrile)

using model chemistry: MP2/6-311G**

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	-0.042
2	C	0.111
3	C	0.111
4	H	0.206
5	H	0.206
6	N	-0.296
7	N	-0.296

<r²>	121.479
(<r²>)^1/2	11.022

All results from a given calculation for C3H2N2 (Malononitrile)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₃H₂N₂ (Malononitrile)