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	hartrees
Energy at 0K	-167.317957
Energy at 298.15K	-167.321733
HF Energy	-167.255151
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3768	3768	11.73
2	A'	3568	3568	1.92
3	A'	3387	3387	15.63
4	A'	1708	1708	3.24
5	A'	1562	1562	11.60
6	A'	1450	1450	38.43
7	A'	1249	1249	8.79
8	A'	1048	1048	29.80
9	A'	505	505	2.97
10	A"	940	940	29.71
11	A"	811	811	0.69
12	A"	454	454	69.31

Atom	x (Å)	y (Å)
C1	1.168	-0.057
N2	0.000	0.577
O3	-1.061	-0.416
H4	1.275	-1.154
H5	2.072	0.566
H6	-1.868	0.217

	C1	N2	O3	H4	H5	H6
C1		1.3291	2.2573	1.1016	1.0978	3.0484
N2	1.3291		1.4528	2.1496	2.0717	1.9023
O3	2.2573	1.4528		2.4494	3.2826	1.0259
H4	1.1016	2.1496	2.4494		1.8953	3.4289
H5	1.0978	2.0717	3.2826	1.8953		3.9551
H6	3.0484	1.9023	1.0259	3.4289	3.9551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	108.393	N2	C1	H4	124.072
N2	C1	H5	116.901	N2	O3	H6	98.797
H4	C1	H5	119.027

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B2PLYP/STO-3G

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	-0.073
2	N	-0.120
3	O	-0.170
4	H	0.082
5	H	0.086
6	H	0.195

	x	y	z	Total
	-0.159	-0.214	0.000	0.266
CHELPG
AIM
ESP

	x	y	z
x	3.867	-0.161	0.000
y	-0.161	1.473	0.000
z	0.000	0.000	0.453

<r²>	41.659
(<r²>)^1/2	6.454

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B2PLYP/STO-3G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)