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	hartrees
Energy at 0K	-169.816834
Energy at 298.15K	-169.820693
HF Energy	-169.816834
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3632	3623	42.77
2	A'	3138	3130	9.82
3	A'	3010	3003	12.25
4	A'	1637	1633	2.87
5	A'	1421	1417	20.01
6	A'	1324	1321	81.28
7	A'	1150	1147	9.03
8	A'	844	842	118.91
9	A'	516	515	6.41
10	A"	905	903	34.95
11	A"	772	770	12.31
12	A"	437	435	140.05

Atom	x (Å)	y (Å)
C1	1.151	-0.016
N2	0.000	0.547
O3	-1.045	-0.426
H4	1.288	-1.105
H5	2.015	0.650
H6	-1.845	0.132

	C1	N2	O3	H4	H5	H6
C1		1.2812	2.2342	1.0970	1.0909	2.9996
N2	1.2812		1.4282	2.0943	2.0173	1.8911
O3	2.2342	1.4282		2.4299	3.2438	0.9752
H4	1.0970	2.0943	2.4299		1.8993	3.3681
H5	1.0909	2.0173	3.2438	1.8993		3.8943
H6	2.9996	1.8911	0.9752	3.3681	3.8943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.980	N2	C1	H4	123.247
N2	C1	H5	116.282	N2	O3	H6	102.141
H4	C1	H5	120.471

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: BLYP/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	-0.257
2	N	-0.071
3	O	-0.452
4	H	0.184
5	H	0.207
6	H	0.389

	x	y	z	Total
	0.088	0.065	0.000	0.110
CHELPG
AIM
ESP

	x	y	z
x	5.632	-0.136	0.000
y	-0.136	3.136	0.000
z	0.000	0.000	1.745

<r²>	41.501
(<r²>)^1/2	6.442

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)