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	hartrees
Energy at 0K	-148.776068
Energy at 298.15K	-148.778422
HF Energy	-148.776068
Nuclear repulsion energy	59.327781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3464	3464	15.92
2	A	1226	1226	0.02
3	A	923	923	9.38
4	A	699	699	80.15
5	A	512	512	0.30
6	B	3464	3464	93.46
7	B	2131	2131	556.73
8	B	921	921	393.06
9	B	514	514	55.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.031
N2	0.000	1.235	-0.086
N3	0.000	-1.235	-0.086
H4	0.627	1.783	0.510
H5	-0.627	-1.783	0.510

	C1	N2	N3	H4	H5
C1		1.2404	1.2404	1.9495	1.9495
N2	1.2404		2.4696	1.0241	3.1392
N3	1.2404	2.4696		3.1392	1.0241
H4	1.9495	1.0241	3.1392		3.7798
H5	1.9495	3.1392	1.0241	3.7798

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.529		C1	N3	H5	118.529
N2	C1	N3	169.118

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: BLYP/daug-cc-pVDZ

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	-0.045
2	N	0.155
3	N	0.155
4	H	-0.133
5	H	-0.133

	x	y	z	Total
	0.000	0.000	1.903	1.903
CHELPG
AIM
ESP

	x	y	z
x	3.378	0.289	0.000
y	0.289	7.309	0.000
z	0.000	0.000	3.355

<r²>	39.939
(<r²>)^1/2	6.320