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	hartrees
Energy at 0K	-224.626431
Energy at 298.15K	-224.628085
HF Energy	-223.712034
Nuclear repulsion energy	124.856588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3114	2956	0.84
2	A₁	2231	2118	0.93
3	A₁	1471	1397	12.49
4	A₁	912	866	4.21
5	A₁	579	550	0.23
6	A₁	144	136	10.45
7	A₂	1267	1203	0.00
8	A₂	363	345	0.00
9	B₁	3153	2993	4.74
10	B₁	936	889	0.15
11	B₁	333	316	0.33
12	B₂	2237	2123	3.38
13	B₂	1354	1285	2.96
14	B₂	1008	957	3.61
15	B₂	362	344	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.842
C2	0.000	1.207	0.027
C3	0.000	-1.207	0.027
H4	0.879	0.000	1.478
H5	-0.879	0.000	1.478
N6	0.000	2.185	-0.596
N7	0.000	-2.185	-0.596

	C1	C2	C3	H4	H5	N6	N7
C1		1.4562	1.4562	1.0853	1.0853	2.6157	2.6157
C2	1.4562		2.4141	2.0821	2.0821	1.1598	3.4491
C3	1.4562	2.4141		2.0821	2.0821	3.4491	1.1598
H4	1.0853	2.0821	2.0821		1.7583	3.1384	3.1384
H5	1.0853	2.0821	2.0821	1.7583		3.1384	3.1384
N6	2.6157	1.1598	3.4491	3.1384	3.1384		4.3706
N7	2.6157	3.4491	1.1598	3.1384	3.1384	4.3706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	178.478	C1	C3	N7	178.478
C2	C1	C3	111.975	C2	C1	H4	109.149
C2	C1	H5	109.149	C3	C1	H4	109.149
C3	C1	H5	109.149	H4	C1	H5	108.193

All results from a given calculation for C₃H₂N₂ (Malononitrile)

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 C3H2N2 (Malononitrile)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₂N₂ (Malononitrile)