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	hartrees
Energy at 0K	-147.918685
Energy at 298.15K	-147.921242
HF Energy	-147.918685
Nuclear repulsion energy	60.991399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3819	3459	36.91
2	A	1381	1250	0.07
3	A	1032	934	18.32
4	A	827	749	109.88
5	A	599	542	0.42
6	B	3814	3454	172.95
7	B	2344	2122	895.76
8	B	1019	922	485.91
9	B	601	545	113.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.006
N2	0.000	1.204	0.072
N3	0.000	-1.204	0.072
H4	-0.629	1.699	-0.526
H5	0.629	-1.699	-0.526

	C1	N2	N3	H4	H5
C1		1.2062	1.2062	1.8877	1.8877
N2	1.2062		2.4086	0.9988	3.0299
N3	1.2062	2.4086		3.0299	0.9988
H4	1.8877	0.9988	3.0299		3.6225
H5	1.8877	3.0299	0.9988	3.6225

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.461		C1	N3	H5	117.461
N2	C1	N3	173.687

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: HF/6-31G(2df,p)

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	0.502
2	N	-0.568
3	N	-0.568
4	H	0.317
5	H	0.317

	x	y	z	Total
	0.000	0.000	-2.192	2.192
CHELPG
AIM
ESP

	x	y	z
x	2.125	-0.360	0.000
y	-0.360	5.520	0.000
z	0.000	0.000	2.080

<r²>	38.006
(<r²>)^1/2	6.165