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	hartrees
Energy at 0K	-148.778524
Energy at 298.15K	-148.780940
HF Energy	-148.778524
Nuclear repulsion energy	60.423095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3629	3629	33.17
2	A	1314	1314	0.02
3	A	905	905	12.38
4	A	738	738	94.87
5	A	547	547	0.65
6	B	3624	3624	196.27
7	B	2250	2250	796.42
8	B	904	904	430.49
9	B	554	554	96.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.009
N2	0.000	1.213	-0.077
N3	0.000	-1.213	-0.077
H4	0.624	1.748	0.512
H5	-0.624	-1.748	0.512

	C1	N2	N3	H4	H5
C1		1.2159	1.2159	1.9229	1.9229
N2	1.2159		2.4256	1.0112	3.0826
N3	1.2159	2.4256		3.0826	1.0112
H4	1.9229	1.0112	3.0826		3.7120
H5	1.9229	3.0826	1.0112	3.7120

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	119.113		C1	N3	H5	119.113
N2	C1	N3	171.852

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: M06-2X/6-311+G(3df,2p)

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	1.584
2	N	-1.051
3	N	-1.051
4	H	0.259
5	H	0.259

	x	y	z	Total
	0.000	0.000	2.017	2.017
CHELPG
AIM
ESP

	x	y	z
x	2.944	0.256	0.000
y	0.256	6.627	0.000
z	0.000	0.000	2.910

<r²>	38.756
(<r²>)^1/2	6.225