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	hartrees
Energy at 0K	-169.803127
Energy at 298.15K	-169.807099
HF Energy	-169.803127
Nuclear repulsion energy	70.442949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3719	3719	27.92
2	A'	3441	3441	1.10
3	A'	2932	2932	105.70
4	A'	1722	1722	172.05
5	A'	1409	1409	12.54
6	A'	1319	1319	152.89
7	A'	1184	1184	76.11
8	A'	1034	1034	211.83
9	A'	609	609	1.11
10	A"	1002	1002	5.83
11	A"	811	811	72.46
12	A"	406	406	71.73

Atom	x (Å)	y (Å)
C1	0.000	0.378
O2	-1.006	-0.542
N3	1.204	-0.011
H4	-0.357	1.424
H5	-1.854	-0.078
H6	1.826	0.799

	C1	O2	N3	H4	H5	H6
C1		1.3633	1.2656	1.1051	1.9090	1.8740
O2	1.3633		2.2730	2.0707	0.9671	3.1334
N3	1.2656	2.2730		2.1203	3.0589	1.0211
H4	1.1051	2.0707	2.1203		2.1205	2.2704
H5	1.9090	0.9671	3.0589	2.1205		3.7829
H6	1.8740	3.1334	1.0211	2.2704	3.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.818	C1	N3	H6	109.607
O2	C1	N3	119.636	O2	C1	H4	113.636
N3	C1	H4	126.728

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B97D3/6-311G*

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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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	0.093
2	O	-0.436
3	N	-0.463
4	H	0.147
5	H	0.386
6	H	0.273

	x	y	z	Total
	-2.086	3.199	0.000	3.819
CHELPG
AIM
ESP

	x	y	z
x	5.069	0.004	0.000
y	0.004	3.091	0.000
z	0.000	0.000	1.753

<r²>	41.495
(<r²>)^1/2	6.442