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	hartrees
Energy at 0K	-168.927204
Energy at 298.15K	-168.931243
HF Energy	-168.927204
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4180	3797	129.23
2	A'	3378	3068	6.18
3	A'	3260	2961	6.72
4	A'	1909	1734	1.32
5	A'	1585	1440	22.21
6	A'	1489	1353	92.55
7	A'	1303	1183	21.90
8	A'	1073	975	121.51
9	A'	583	530	8.28
10	A"	1142	1037	34.16
11	A"	875	795	2.45
12	A"	412	374	150.56

Atom	x (Å)	y (Å)
C1	1.120	-0.025
N2	0.000	0.515
O3	-1.017	-0.388
H4	1.245	-1.095
H5	1.976	0.619
H6	-1.801	0.128

	C1	N2	O3	H4	H5	H6
C1		1.2435	2.1679	1.0769	1.0719	2.9253
N2	1.2435		1.3607	2.0351	1.9790	1.8427
O3	2.1679	1.3607		2.3697	3.1587	0.9386
H4	1.0769	2.0351	2.3697		1.8640	3.2821
H5	1.0719	1.9790	3.1587	1.8640		3.8095
H6	2.9253	1.8427	0.9386	3.2821	3.8095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.625	N2	C1	H4	122.409
N2	C1	H5	117.262	N2	O3	H6	105.038
H4	C1	H5	120.329

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: HF/aug-cc-pVQZ

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	-0.641
2	N	-0.181
3	O	-0.494
4	H	0.480
5	H	0.520
6	H	0.316

	x	y	z	Total
	0.458	-0.180	0.000	0.492
CHELPG
AIM
ESP

	x	y	z
x	5.520	-0.132	0.000
y	-0.132	3.494	0.000
z	0.000	0.000	2.786

<r²>	39.620
(<r²>)^1/2	6.294

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)