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	hartrees
Energy at 0K	-168.882542
Energy at 298.15K	-168.886589
HF Energy	-168.882542
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4196	3795	93.95
2	A'	3405	3079	11.97
3	A'	3288	2973	8.05
4	A'	1926	1742	0.25
5	A'	1600	1447	38.82
6	A'	1516	1371	92.34
7	A'	1316	1190	21.11
8	A'	1082	978	117.86
9	A'	583	528	8.78
10	A"	1122	1015	34.20
11	A"	878	794	1.62
12	A"	424	384	192.53

Atom	x (Å)	y (Å)
C1	1.120	-0.028
N2	0.000	0.519
O3	-1.017	-0.388
H4	1.239	-1.100
H5	1.982	0.613
H6	-1.804	0.123

	C1	N2	O3	H4	H5	H6
C1		1.2462	2.1670	1.0785	1.0739	2.9281
N2	1.2462		1.3623	2.0382	1.9839	1.8472
O3	2.1670	1.3623		2.3655	3.1612	0.9384
H4	1.0785	2.0382	2.3655		1.8670	3.2796
H5	1.0739	1.9839	3.1612	1.8670		3.8175
H6	2.9281	1.8472	0.9384	3.2796	3.8175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.275	N2	C1	H4	122.343
N2	C1	H5	117.344	N2	O3	H6	105.325
H4	C1	H5	120.312

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: HF/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	-0.238
2	N	-0.086
3	O	-0.567
4	H	0.218
5	H	0.230
6	H	0.443

	x	y	z	Total
	0.366	0.010	0.000	0.366
CHELPG
AIM
ESP

	x	y	z
x	4.986	-0.267	0.000
y	-0.267	2.722	0.000
z	0.000	0.000	1.638

<r²>	39.537
(<r²>)^1/2	6.288

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)