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	hartrees
Energy at 0K	-169.702035
Energy at 298.15K	-169.706000
HF Energy	-169.702035
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3866	3716	97.26
2	A'	3242	3116	4.27
3	A'	3111	2990	6.53
4	A'	1740	1672	5.74
5	A'	1454	1398	22.65
6	A'	1365	1312	80.89
7	A'	1188	1142	16.90
8	A'	972	934	124.88
9	A'	540	519	6.70
10	A"	984	945	34.80
11	A"	811	779	7.43
12	A"	445	428	125.98

Atom	x (Å)	y (Å)
C1	1.133	-0.033
N2	0.000	0.526
O3	-1.029	-0.393
H4	1.256	-1.115
H5	1.995	0.620
H6	-1.815	0.159

	C1	N2	O3	H4	H5	H6
C1		1.2633	2.1919	1.0883	1.0821	2.9538
N2	1.2633		1.3794	2.0661	1.9977	1.8514
O3	2.1919	1.3794		2.3970	3.1898	0.9597
H4	1.0883	2.0661	2.3970		1.8855	3.3246
H5	1.0821	1.9977	3.1898	1.8855		3.8380
H6	2.9538	1.8514	0.9597	3.3246	3.8380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.003	N2	C1	H4	122.776
N2	C1	H5	116.598	N2	O3	H6	103.182
H4	C1	H5	120.626

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.139
2	N	-0.044
3	O	-0.236
4	H	0.080
5	H	0.118
6	H	0.221

	x	y	z	Total
	0.124	-0.111	0.000	0.166
CHELPG
AIM
ESP

	x	y	z
x	5.532	-0.147	0.000
y	-0.147	3.310	0.000
z	0.000	0.000	2.241

<r²>	40.234
(<r²>)^1/2	6.343

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)