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	hartrees
Energy at 0K	-168.908158
Energy at 298.15K	-168.912192
HF Energy	-168.908158
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4173	3792	126.39
2	A'	3387	3078	6.55
3	A'	3269	2970	4.92
4	A'	1914	1740	1.02
5	A'	1585	1440	20.60
6	A'	1489	1353	101.20
7	A'	1304	1185	17.68
8	A'	1064	967	121.69
9	A'	581	528	7.80
10	A"	1141	1037	35.51
11	A"	873	793	1.55
12	A"	409	372	174.70

Atom	x (Å)	y (Å)
C1	1.121	-0.022
N2	0.000	0.518
O3	-1.018	-0.395
H4	1.248	-1.092
H5	1.978	0.625
H6	-1.804	0.124

	C1	N2	O3	H4	H5	H6
C1		1.2442	2.1715	1.0783	1.0734	2.9285
N2	1.2442		1.3677	2.0376	1.9805	1.8465
O3	2.1715	1.3677		2.3711	3.1647	0.9415
H4	1.0783	2.0376	2.3711		1.8659	3.2853
H5	1.0734	1.9805	3.1647	1.8659		3.8146
H6	2.9285	1.8465	0.9415	3.2853	3.8146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.396	N2	C1	H4	122.487
N2	C1	H5	117.236	N2	O3	H6	104.683
H4	C1	H5	120.277

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: HF/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	-0.101
2	N	-0.069
3	O	-0.336
4	H	0.097
5	H	0.113
6	H	0.296

	x	y	z	Total
	0.463	-0.093	0.000	0.472
CHELPG
AIM
ESP

	x	y	z
x	5.214	-0.256	0.000
y	-0.256	2.979	0.000
z	0.000	0.000	2.094

<r²>	39.712
(<r²>)^1/2	6.302

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)