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	hartrees
Energy at 0K	-223.696299
Energy at 298.15K	-223.698251
Nuclear repulsion energy	126.169526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	2930	0.07
2	A₁	2622	2382	1.91
3	A₁	1575	1431	11.88
4	A₁	966	878	9.53
5	A₁	640	582	1.84
6	A₁	166	151	13.31
7	A₂	1356	1232	0.00
8	A₂	425	386	0.00
9	B₁	3271	2972	1.37
10	B₁	1036	941	0.13
11	B₁	386	351	1.10
12	B₂	2620	2380	6.40
13	B₂	1473	1338	8.49
14	B₂	1048	952	17.68
15	B₂	426	387	1.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.836
C2	0.000	1.220	0.019
C3	0.000	-1.220	0.019
H4	0.877	0.000	1.471
H5	-0.877	0.000	1.471
N6	0.000	2.173	-0.584
N7	0.000	-2.173	-0.584

	C1	C2	C3	H4	H5	N6	N7
C1		1.4688	1.4688	1.0829	1.0829	2.5957	2.5957
C2	1.4688		2.4408	2.0900	2.0900	1.1271	3.4463
C3	1.4688	2.4408		2.0900	2.0900	3.4463	1.1271
H4	1.0829	2.0900	2.0900		1.7543	3.1167	3.1167
H5	1.0829	2.0900	2.0900	1.7543		3.1167	3.1167
N6	2.5957	1.1271	3.4463	3.1167	3.1167		4.3456
N7	2.5957	3.4463	1.1271	3.1167	3.1167	4.3456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	178.519	C1	C3	N7	178.519
C2	C1	C3	112.379	C2	C1	H4	109.045
C2	C1	H5	109.045	C3	C1	H4	109.045
C3	C1	H5	109.045	H4	C1	H5	108.196

All results from a given calculation for C₃H₂N₂ (Malononitrile)

using model chemistry: HF/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	-0.044
2	C	0.120
3	C	0.120
4	H	0.201
5	H	0.201
6	N	-0.300
7	N	-0.300

	x	y	z	Total
	0.000	0.000	4.019	4.019
CHELPG
AIM
ESP

<r²>	119.022
(<r²>)^1/2	10.910

All results from a given calculation for C3H2N2 (Malononitrile)

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

States and conformations

All results from a given calculation for C₃H₂N₂ (Malononitrile)