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	hartrees
Energy at 0K	-147.930461
Energy at 298.15K	-147.933007
HF Energy	-147.930461
Nuclear repulsion energy	61.024345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3834	3467	27.78
2	A	1379	1247	0.24
3	A	1031	933	15.70
4	A	839	759	134.98
5	A	587	531	0.15
6	B	3829	3463	141.19
7	B	2342	2118	949.16
8	B	1024	926	540.49
9	B	589	533	123.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.006
N2	0.000	1.203	0.072
N3	0.000	-1.203	0.072
H4	-0.625	1.709	-0.519
H5	0.625	-1.709	-0.519

	C1	N2	N3	H4	H5
C1		1.2052	1.2052	1.8938	1.8938
N2	1.2052		2.4068	0.9973	3.0365
N3	1.2052	2.4068		3.0365	0.9973
H4	1.8938	0.9973	3.0365		3.6393
H5	1.8938	3.0365	0.9973	3.6393

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.295		C1	N3	H5	118.295
N2	C1	N3	173.775

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: HF/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	0.700
2	N	-0.711
3	N	-0.711
4	H	0.360
5	H	0.360

	x	y	z	Total
	0.000	0.000	-2.444	2.444
CHELPG
AIM
ESP

	x	y	z
x	1.900	-0.329	0.000
y	-0.329	5.603	0.000
z	0.000	0.000	1.856

<r²>	38.187
(<r²>)^1/2	6.180