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	hartrees
Energy at 0K	-168.974123
Energy at 298.15K	-168.978215
HF Energy	-168.974123
Nuclear repulsion energy	71.943938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4205	3821	128.92
2	A'	3779	3433	17.84
3	A'	3220	2926	44.38
4	A'	1910	1735	288.92
5	A'	1556	1414	25.66
6	A'	1445	1313	219.06
7	A'	1288	1170	57.24
8	A'	1152	1046	197.97
9	A'	670	608	0.81
10	A"	1174	1066	4.17
11	A"	908	825	62.53
12	A"	397	361	83.85

Atom	x (Å)	y (Å)
C1	0.000	0.363
O2	-0.991	-0.526
N3	1.183	-0.006
H4	-0.326	1.396
H5	-1.830	-0.105
H6	1.802	0.778

	C1	O2	N3	H4	H5	H6
C1		1.3309	1.2387	1.0834	1.8887	1.8496
O2	1.3309		2.2347	2.0338	0.9390	3.0825
N3	1.2387	2.2347		2.0592	3.0141	0.9993
H4	1.0834	2.0338	2.0592		2.1249	2.2160
H5	1.8887	0.9390	3.0141	2.1249		3.7380
H6	1.8496	3.0825	0.9993	2.2160	3.7380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	111.450	C1	N3	H6	111.015
O2	C1	N3	120.789	O2	C1	H4	114.400
N3	C1	H4	124.811

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: HF/6-311+G(3df,2p)

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	0.972
2	O	-0.575
3	N	-0.928
4	H	0.138
5	H	0.219
6	H	0.174

	x	y	z	Total
	-2.262	3.377	0.000	4.064
CHELPG
AIM
ESP

	x	y	z
x	4.959	-0.067	0.000
y	-0.067	3.344	0.000
z	0.000	0.000	2.670

<r²>	40.595
(<r²>)^1/2	6.371