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	hartrees
Energy at 0K	-148.656289
Energy at 298.15K	-148.658640
HF Energy	-148.656289
Nuclear repulsion energy	59.736670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3514	3482	22.21
2	A	1254	1242	0.01
3	A	896	888	7.45
4	A	705	698	95.22
5	A	519	515	0.40
6	B	3514	3482	88.80
7	B	2200	2180	484.78
8	B	896	888	396.98
9	B	522	518	67.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.026
N2	0.000	1.226	-0.083
N3	0.000	-1.226	-0.083
H4	0.628	1.773	0.505
H5	-0.628	-1.773	0.505

	C1	N2	N3	H4	H5
C1		1.2309	1.2309	1.9413	1.9413
N2	1.2309		2.4521	1.0199	3.1205
N3	1.2309	2.4521		3.1205	1.0199
H4	1.9413	1.0199	3.1205		3.7624
H5	1.9413	3.1205	1.0199	3.7624

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	118.901		C1	N3	H5	118.901
N2	C1	N3	169.803

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: PBEPBE/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	0.373
2	N	-0.409
3	N	-0.409
4	H	0.223
5	H	0.223

	x	y	z	Total
	0.000	0.000	2.070	2.070
CHELPG
AIM
ESP

	x	y	z
x	2.085	0.365	0.000
y	0.365	6.142	0.000
z	0.000	0.000	2.064

<r²>	39.100
(<r²>)^1/2	6.253