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	hartrees
Energy at 0K	-224.352492
Energy at 298.15K	-224.354163
HF Energy	-223.640763
Nuclear repulsion energy	124.598833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3131	2938	0.59
2	A₁	2475	2322	0.14
3	A₁	1514	1420	13.67
4	A₁	931	873	7.08
5	A₁	592	556	0.38
6	A₁	147	138	10.96
7	A₂	1282	1203	0.00
8	A₂	368	345	0.00
9	B₁	3178	2982	2.40
10	B₁	975	914	0.41
11	B₁	340	319	0.49
12	B₂	2471	2318	0.13
13	B₂	1396	1309	2.57
14	B₂	1024	961	9.70
15	B₂	365	343	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.846
C2	0.000	1.220	0.025
C3	0.000	-1.220	0.025
H4	0.884	0.000	1.491
H5	-0.884	0.000	1.491
N6	0.000	2.196	-0.597
N7	0.000	-2.196	-0.597

	C1	C2	C3	H4	H5	N6	N7
C1		1.4710	1.4710	1.0941	1.0941	2.6275	2.6275
C2	1.4710		2.4407	2.1023	2.1023	1.1567	3.4724
C3	1.4710	2.4407		2.1023	2.1023	3.4724	1.1567
H4	1.0941	2.1023	2.1023		1.7680	3.1560	3.1560
H5	1.0941	2.1023	2.1023	1.7680		3.1560	3.1560
N6	2.6275	1.1567	3.4724	3.1560	3.1560		4.3920
N7	2.6275	3.4724	1.1567	3.1560	3.1560	4.3920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	178.551	C1	C3	N7	178.551
C2	C1	C3	112.120	C2	C1	H4	109.205
C2	C1	H5	109.205	C3	C1	H4	109.205
C3	C1	H5	109.205	H4	C1	H5	107.801

All results from a given calculation for C₃H₂N₂ (Malononitrile)

using model chemistry: MP3=FULL/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=FULL/6-31G*

States and conformations

All results from a given calculation for C₃H₂N₂ (Malononitrile)