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	hartrees
Energy at 0K	-26.622703
Energy at 298.15K	-26.625067
HF Energy	-26.622703
Nuclear repulsion energy	31.489931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3557	3435	16.61
2	A	1261	1218	0.03
3	A	961	928	3.97
4	A	740	715	101.31
5	A	512	495	0.01
6	B	3556	3434	75.18
7	B	2183	2108	613.75
8	B	955	922	420.52
9	B	512	494	72.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.024
N2	0.000	1.243	-0.086
N3	0.000	-1.243	-0.086
H4	0.647	1.746	0.528
H5	-0.647	-1.746	0.528

	C1	N2	N3	H4	H5
C1		1.2476	1.2476	1.9289	1.9289
N2	1.2476		2.4854	1.0241	3.1189
N3	1.2476	2.4854		3.1189	1.0241
H4	1.9289	1.0241	3.1189		3.7241
H5	1.9289	3.1189	1.0241	3.7241

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	115.880		C1	N3	H5	115.880
N2	C1	N3	169.868

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B3LYP/CEP-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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Number	Element	Mulliken
1	C	-0.520
2	N	-0.050
3	N	-0.050
4	H	0.310
5	H	0.310

	x	y	z	Total
	0.000	0.000	2.266	2.266
CHELPG
AIM
ESP

	x	y	z
x	2.204	0.343	0.000
y	0.343	6.194	0.000
z	0.000	0.000	2.171

<r²>	33.532
(<r²>)^1/2	5.791