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	hartrees
Energy at 0K	-169.709073
Energy at 298.15K	-169.704556
HF Energy	-169.808271
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3751	3602	60.67
2	A'	3252	3123	7.60
3	A'	3131	3007	5.69
4	A'	1731	1662	1.64
5	A'	1476	1417	16.98
6	A'	1375	1321	85.39
7	A'	1197	1149	13.16
8	A'	936	899	114.46
9	A'	533	512	6.34
10	A"	964	926	33.51
11	A"	803	771	6.10
12	A"	434	417	136.70

Atom	x (Å)	y (Å)
C1	1.140	-0.029
N2	0.000	0.538
O3	-1.036	-0.406
H4	1.267	-1.113
H5	2.009	0.622
H6	-1.829	0.153

	C1	N2	O3	H4	H5	H6
C1		1.2738	2.2088	1.0910	1.0856	2.9748
N2	1.2738		1.4021	2.0813	2.0105	1.8690
O3	2.2088	1.4021		2.4089	3.2138	0.9704
H4	1.0910	2.0813	2.4089		1.8869	3.3448
H5	1.0856	2.0105	3.2138	1.8869		3.8662
H6	2.9748	1.8690	0.9704	3.3448	3.8662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.614	N2	C1	H4	123.073
N2	C1	H5	117.086	N2	O3	H6	103.228
H4	C1	H5	119.841

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: G3B3

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	-0.131
2	N	-0.108
3	O	-0.502
4	H	0.157
5	H	0.166
6	H	0.418

	x	y	z	Total
	0.127	-0.014	0.000	0.128
CHELPG
AIM
ESP

<r²>	40.606
(<r²>)^1/2	6.372

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: G3B3

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)