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	hartrees
Energy at 0K	-223.753759
Energy at 298.15K	-223.755422
Nuclear repulsion energy	125.519585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2964	2934	3.88
2	A₁	2346	2322	0.89
3	A₁	1358	1344	22.82
4	A₁	913	904	2.51
5	A₁	584	578	0.29
6	A₁	143	142	9.75
7	A₂	1187	1174	0.00
8	A₂	378	374	0.00
9	B₁	3003	2972	10.24
10	B₁	883	874	1.91
11	B₁	341	337	0.00
12	B₂	2342	2318	3.23
13	B₂	1288	1275	0.04
14	B₂	1002	991	3.12
15	B₂	378	374	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.823
C2	0.000	1.206	0.028
C3	0.000	-1.206	0.028
H4	0.886	0.000	1.485
H5	-0.886	0.000	1.485
N6	0.000	2.184	-0.588
N7	0.000	-2.184	-0.588

	C1	C2	C3	H4	H5	N6	N7
C1		1.4448	1.4448	1.1059	1.1059	2.5999	2.5999
C2	1.4448		2.4127	2.0887	2.0887	1.1553	3.4456
C3	1.4448	2.4127		2.0887	2.0887	3.4456	1.1553
H4	1.1059	2.0887	2.0887		1.7720	3.1386	3.1386
H5	1.1059	2.0887	2.0887	1.7720		3.1386	3.1386
N6	2.5999	1.1553	3.4456	3.1386	3.1386		4.3673
N7	2.5999	3.4456	1.1553	3.1386	3.1386	4.3673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	178.847	C1	C3	N7	178.847
C2	C1	C3	113.230	C2	C1	H4	109.228
C2	C1	H5	109.228	C3	C1	H4	109.228
C3	C1	H5	109.228	H4	C1	H5	106.477

All results from a given calculation for C₃H₂N₂ (Malononitrile)

using model chemistry: SVWN/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	-0.260
2	C	0.070
3	C	0.070
4	H	0.249
5	H	0.249
6	N	-0.189
7	N	-0.189

	x	y	z	Total
	0.000	0.000	3.805	3.805
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H2N2 (Malononitrile)

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

States and conformations

All results from a given calculation for C₃H₂N₂ (Malononitrile)