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	hartrees
Energy at 0K	-148.011368
Energy at 298.15K	-148.013710
HF Energy	-148.011368
Nuclear repulsion energy	60.184532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3550	3492	25.11
2	A	1297	1276	0.13
3	A	856	842	16.52
4	A	678	667	122.02
5	A	538	529	2.00
6	B	3549	3491	130.50
7	B	2279	2241	528.88
8	B	867	853	450.44
9	B	540	532	80.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.021
N2	0.000	1.214	-0.078
N3	0.000	-1.214	-0.078
H4	0.608	1.808	0.483
H5	-0.608	-1.808	0.483

	C1	N2	N3	H4	H5
C1		1.2181	1.2181	1.9623	1.9623
N2	1.2181		2.4283	1.0182	3.1329
N3	1.2181	2.4283		3.1329	1.0182
H4	1.9623	1.0182	3.1329		3.8140
H5	1.9623	3.1329	1.0182	3.8140

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	122.427		C1	N3	H5	122.427
N2	C1	N3	170.716

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: LSDA/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	0.470
2	N	-0.583
3	N	-0.583
4	H	0.348
5	H	0.348

	x	y	z	Total
	0.000	0.000	2.200	2.200
CHELPG
AIM
ESP

	x	y	z
x	1.975	0.313	0.000
y	0.313	6.072	0.000
z	0.000	0.000	1.947

<r²>	38.749
(<r²>)^1/2	6.225