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	hartrees
Energy at 0K	-148.849986
Energy at 298.15K	-148.852386
HF Energy	-148.849986
Nuclear repulsion energy	60.286617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3593	3593	23.62
2	A	1288	1288	0.00
3	A	920	920	13.87
4	A	716	716	89.42
5	A	545	545	0.43
6	B	3590	3590	147.19
7	B	2215	2215	701.34
8	B	918	918	442.68
9	B	549	549	72.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.018
N2	0.000	1.215	-0.079
N3	0.000	-1.215	-0.079
H4	0.614	1.770	0.500
H5	-0.614	-1.770	0.500

	C1	N2	N3	H4	H5
C1		1.2189	1.2189	1.9344	1.9344
N2	1.2189		2.4299	1.0101	3.1019
N3	1.2189	2.4299		3.1019	1.0101
H4	1.9344	1.0101	3.1019		3.7467
H5	1.9344	3.1019	1.0101	3.7467

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	120.121		C1	N3	H5	120.121
N2	C1	N3	170.838

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B3LYP/daug-cc-pVTZ

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	0.107
2	N	-0.556
3	N	-0.556
4	H	0.503
5	H	0.503

	x	y	z	Total
	0.000	0.000	1.944	1.944
CHELPG
AIM
ESP

	x	y	z
x	3.189	0.245	0.000
y	0.245	6.892	0.000
z	0.000	0.000	3.163

<r²>	38.949
(<r²>)^1/2	6.241