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	hartrees
Energy at 0K	-169.816912
Energy at 298.15K	-169.820912
HF Energy	-169.619044
Nuclear repulsion energy	70.892083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3860	3860	82.21
2	A'	3551	3551	10.78
3	A'	3069	3069	52.96
4	A'	1746	1746	191.67
5	A'	1422	1422	12.98
6	A'	1332	1332	165.68
7	A'	1194	1194	41.66
8	A'	1058	1058	216.29
9	A'	620	620	1.40
10	A"	1041	1041	2.66
11	A"	832	832	64.00
12	A"	405	405	65.74

Atom	x (Å)	y (Å)
C1	0.000	0.375
O2	-1.002	-0.534
N3	1.197	-0.014
H4	-0.338	1.414
H5	-1.848	-0.079
H6	1.824	0.783

	C1	O2	N3	H4	H5	H6
C1		1.3535	1.2590	1.0921	1.9026	1.8689
O2	1.3535		2.2602	2.0581	0.9602	3.1180
N3	1.2590	2.2602		2.0967	3.0455	1.0136
H4	1.0921	2.0581	2.0967		2.1228	2.2524
H5	1.9026	0.9602	3.0455	2.1228		3.7713
H6	1.8689	3.1180	1.0136	2.2524	3.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.461	C1	N3	H6	110.176
O2	C1	N3	119.756	O2	C1	H4	114.188
N3	C1	H4	126.056

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B2PLYP/Def2TZVPP

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	0.100
2	O	-0.238
3	N	-0.268
4	H	0.059
5	H	0.200
6	H	0.147

	x	y	z	Total
	-2.052	3.162	0.000	3.770
CHELPG
AIM
ESP

<r²>	41.381
(<r²>)^1/2	6.433