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	hartrees
Energy at 0K	-147.958944
Energy at 298.15K	-147.961499
HF Energy	-147.958944
Nuclear repulsion energy	61.091239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3803	3461	34.08
2	A	1375	1252	0.06
3	A	1029	937	16.05
4	A	816	743	108.71
5	A	595	542	0.16
6	B	3797	3456	188.78
7	B	2327	2117	980.09
8	B	1019	927	487.52
9	B	596	543	110.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.007
N2	0.000	1.202	0.072
N3	0.000	-1.202	0.072
H4	-0.626	1.699	-0.526
H5	0.626	-1.699	-0.526

	C1	N2	N3	H4	H5
C1		1.2039	1.2039	1.8869	1.8869
N2	1.2039		2.4043	0.9977	3.0272
N3	1.2039	2.4043		3.0272	0.9977
H4	1.8869	0.9977	3.0272		3.6205
H5	1.8869	3.0272	0.9977	3.6205

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	117.669		C1	N3	H5	117.669
N2	C1	N3	173.761

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: HF/cc-pVTZ

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	0.248
2	N	-0.331
3	N	-0.331
4	H	0.207
5	H	0.207

	x	y	z	Total
	0.000	0.000	-2.192	2.192
CHELPG
AIM
ESP

	x	y	z
x	2.379	-0.289	0.000
y	-0.289	5.758	0.000
z	0.000	0.000	2.344

<r²>	38.071
(<r²>)^1/2	6.170