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	hartrees
Energy at 0K	-147.968189
Energy at 298.15K	-147.970500
HF Energy	-147.968189
Nuclear repulsion energy	59.825104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3540	3474	24.91
2	A	1296	1272	0.12
3	A	862	846	13.41
4	A	688	676	112.40
5	A	518	508	0.53
6	B	3540	3474	117.93
7	B	2279	2236	471.62
8	B	869	853	438.13
9	B	521	511	68.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.026
N2	0.000	1.223	-0.081
N3	0.000	-1.223	-0.081
H4	0.618	1.798	0.492
H5	-0.618	-1.798	0.492

	C1	N2	N3	H4	H5
C1		1.2272	1.2272	1.9580	1.9580
N2	1.2272		2.4451	1.0210	3.1364
N3	1.2272	2.4451		3.1364	1.0210
H4	1.9580	1.0210	3.1364		3.8032
H5	1.9580	3.1364	1.0210	3.8032

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	120.851		C1	N3	H5	120.851
N2	C1	N3	169.997

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: LSDA/6-31G*

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	0.531
2	N	-0.623
3	N	-0.623
4	H	0.358
5	H	0.358

	x	y	z	Total
	0.000	0.000	2.166	2.166
CHELPG
AIM
ESP

	x	y	z
x	1.804	0.391	0.000
y	0.391	5.993	0.000
z	0.000	0.000	1.776

<r²>	38.887
(<r²>)^1/2	6.236