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	hartrees
Energy at 0K	-148.761205
Energy at 298.15K	-148.763521
HF Energy	-148.761205
Nuclear repulsion energy	59.321534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3487	3468	16.62
2	A	1235	1229	0.00
3	A	883	879	6.20
4	A	700	697	104.88
5	A	511	509	0.18
6	B	3487	3468	95.76
7	B	2145	2134	569.27
8	B	882	878	419.65
9	B	507	505	63.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.036
N2	0.000	1.234	-0.087
N3	0.000	-1.234	-0.087
H4	0.623	1.794	0.500
H5	-0.623	-1.794	0.500

	C1	N2	N3	H4	H5
C1		1.2404	1.2404	1.9554	1.9554
N2	1.2404		2.4687	1.0229	3.1473
N3	1.2404	2.4687		3.1473	1.0229
H4	1.9554	1.0229	3.1473		3.7990
H5	1.9554	3.1473	1.0229	3.7990

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.214		C1	N3	H5	119.214
N2	C1	N3	168.655

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: BLYP/6-31+G**

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	0.505
2	N	-0.546
3	N	-0.546
4	H	0.294
5	H	0.294

	x	y	z	Total
	0.000	0.000	2.197	2.197
CHELPG
AIM
ESP

	x	y	z
x	2.576	0.203	0.000
y	0.203	7.121	0.000
z	0.000	0.000	2.568

<r²>	39.977
(<r²>)^1/2	6.323