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	hartrees
Energy at 0K	-169.818903
Energy at 298.15K	-169.822873
HF Energy	-169.818903
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3899	3723	91.55
2	A'	3258	3112	3.42
3	A'	3129	2988	4.51
4	A'	1751	1672	5.75
5	A'	1465	1399	18.08
6	A'	1370	1308	90.47
7	A'	1201	1147	11.31
8	A'	966	922	129.33
9	A'	544	520	6.18
10	A"	998	953	40.60
11	A"	813	776	4.16
12	A"	446	425	152.67

Atom	x (Å)	y (Å)
C1	1.134	-0.028
N2	0.000	0.528
O3	-1.030	-0.399
H4	1.260	-1.109
H5	1.994	0.629
H6	-1.818	0.148

	C1	N2	O3	H4	H5	H6
C1		1.2630	2.1951	1.0882	1.0821	2.9566
N2	1.2630		1.3860	2.0660	1.9961	1.8569
O3	2.1951	1.3860		2.3971	3.1934	0.9592
H4	1.0882	2.0660	2.3971		1.8865	3.3242
H5	1.0821	1.9961	3.1934	1.8865		3.8413
H6	2.9566	1.8569	0.9592	3.3242	3.8413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.843	N2	C1	H4	122.794
N2	C1	H5	116.464	N2	O3	H6	103.199
H4	C1	H5	120.742

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: wB97X-D/TZVP

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	-0.186
2	N	-0.065
3	O	-0.304
4	H	0.120
5	H	0.140
6	H	0.295

	x	y	z	Total
	0.237	-0.089	0.000	0.253
CHELPG
AIM
ESP

	x	y	z
x	5.474	-0.183	0.000
y	-0.183	3.225	0.000
z	0.000	0.000	2.221

<r²>	40.375
(<r²>)^1/2	6.354

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)