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	hartrees
Energy at 0K	-147.926949
Energy at 298.15K	-147.929505
HF Energy	-147.926949
Nuclear repulsion energy	60.697667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3800	3460	31.44
2	A	1370	1248	0.03
3	A	1048	954	13.06
4	A	816	743	104.08
5	A	590	538	0.28
6	B	3794	3455	193.40
7	B	2310	2103	1033.90
8	B	1040	947	466.49
9	B	593	540	93.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.004
N2	0.000	1.211	0.074
N3	0.000	-1.211	0.074
H4	-0.633	1.698	-0.532
H5	0.633	-1.698	-0.532

	C1	N2	N3	H4	H5
C1		1.2126	1.2126	1.8901	1.8901
N2	1.2126		2.4211	1.0032	3.0380
N3	1.2126	2.4211		3.0380	1.0032
H4	1.8901	1.0032	3.0380		3.6246
H5	1.8901	3.0380	1.0032	3.6246

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	116.766		C1	N3	H5	116.766
N2	C1	N3	173.382

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: HF/aug-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	0.236
2	N	-0.198
3	N	-0.198
4	H	0.079
5	H	0.079

	x	y	z	Total
	0.000	0.000	-2.165	2.165
CHELPG
AIM
ESP

	x	y	z
x	2.892	-0.257	0.000
y	-0.257	6.261	0.000
z	0.000	0.000	2.860

<r²>	38.611
(<r²>)^1/2	6.214