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	hartrees
Energy at 0K	-148.760997
Energy at 298.15K	-148.763412
HF Energy	-148.760997
Nuclear repulsion energy	60.348543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3630	3630	36.00
2	A	1314	1314	0.16
3	A	911	911	8.91
4	A	754	754	108.81
5	A	540	540	0.27
6	B	3626	3626	164.36
7	B	2269	2269	702.11
8	B	911	911	428.83
9	B	545	545	96.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.008
N2	0.000	1.215	-0.077
N3	0.000	-1.215	-0.077
H4	0.631	1.738	0.517
H5	-0.631	-1.738	0.517

	C1	N2	N3	H4	H5
C1		1.2179	1.2179	1.9176	1.9176
N2	1.2179		2.4299	1.0124	3.0772
N3	1.2179	2.4299		3.0772	1.0124
H4	1.9176	1.0124	3.0772		3.6972
H5	1.9176	3.0772	1.0124	3.6972

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.300		C1	N3	H5	118.300
N2	C1	N3	172.023

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: M06-2X/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	0.485
2	N	-0.489
3	N	-0.489
4	H	0.247
5	H	0.247

	x	y	z	Total
	0.000	0.000	2.218	2.218
CHELPG
AIM
ESP

	x	y	z
x	2.025	0.345	0.000
y	0.345	5.937	0.000
z	0.000	0.000	1.989

<r²>	38.609
(<r²>)^1/2	6.214