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	hartrees
Energy at 0K	-148.721487
Energy at 298.15K	-148.723859
HF Energy	-148.721487
Nuclear repulsion energy	59.551406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3506	3506	15.33
2	A	1242	1242	0.03
3	A	936	936	8.25
4	A	707	707	79.77
5	A	517	517	0.23
6	B	3506	3506	89.28
7	B	2165	2165	564.13
8	B	933	933	381.61
9	B	520	520	57.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.030
N2	0.000	1.231	-0.086
N3	0.000	-1.231	-0.086
H4	0.629	1.765	0.514
H5	-0.629	-1.765	0.514

	C1	N2	N3	H4	H5
C1		1.2363	1.2363	1.9350	1.9350
N2	1.2363		2.4617	1.0197	3.1192
N3	1.2363	2.4617		3.1192	1.0197
H4	1.9350	1.0197	3.1192		3.7470
H5	1.9350	3.1192	1.0197	3.7470

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.801		C1	N3	H5	117.801
N2	C1	N3	169.262

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B97D3/daug-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	0.113
2	N	-0.004
3	N	-0.004
4	H	-0.053
5	H	-0.053

	x	y	z	Total
	0.000	0.000	1.906	1.906
CHELPG
AIM
ESP

	x	y	z
x	3.319	0.274	0.000
y	0.274	7.135	0.000
z	0.000	0.000	3.297

<r²>	39.540
(<r²>)^1/2	6.288