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	hartrees
Energy at 0K	-169.647930
Energy at 298.15K	-169.651896
HF Energy	-169.647930
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3870	3706	87.52
2	A'	3260	3122	4.51
3	A'	3127	2995	5.43
4	A'	1749	1675	3.87
5	A'	1460	1398	25.37
6	A'	1375	1317	77.18
7	A'	1194	1144	19.27
8	A'	991	950	111.69
9	A'	537	514	6.64
10	A"	976	934	29.99
11	A"	815	780	7.26
12	A"	453	433	119.55

Atom	x (Å)	y (Å)
C1	1.134	-0.041
N2	0.000	0.526
O3	-1.031	-0.386
H4	1.254	-1.125
H5	2.002	0.608
H6	-1.812	0.172

	C1	N2	O3	H4	H5	H6
C1		1.2673	2.1917	1.0902	1.0841	2.9536
N2	1.2673		1.3760	2.0726	2.0040	1.8464
O3	2.1917	1.3760		2.4012	3.1917	0.9605
H4	1.0902	2.0726	2.4012		1.8868	3.3293
H5	1.0841	2.0040	3.1917	1.8868		3.8393
H6	2.9536	1.8464	0.9605	3.3293	3.8393

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.953	N2	C1	H4	122.900
N2	C1	H5	116.695	N2	O3	H6	102.966
H4	C1	H5	120.404

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	-0.214
2	N	-0.006
3	O	-0.410
4	H	0.146
5	H	0.158
6	H	0.327

	x	y	z	Total
	0.039	-0.107	0.000	0.114
CHELPG
AIM
ESP

	x	y	z
x	5.256	-0.137	0.000
y	-0.137	3.028	0.000
z	0.000	0.000	1.885

<r²>	40.032
(<r²>)^1/2	6.327

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)