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	hartrees
Energy at 0K	-168.799620
Energy at 298.15K	-168.803617
HF Energy	-168.799620
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4081	3674	105.46
2	A'	3469	3124	8.86
3	A'	3341	3009	6.58
4	A'	1873	1686	0.02
5	A'	1586	1428	13.53
6	A'	1445	1301	119.37
7	A'	1286	1158	10.80
8	A'	998	899	113.04
9	A'	550	495	11.11
10	A"	1176	1058	59.83
11	A"	865	779	0.15
12	A"	419	377	258.33

Atom	x (Å)	y (Å)
C1	1.146	-0.007
N2	0.000	0.535
O3	-1.037	-0.418
H4	1.283	-1.073
H5	1.996	0.644
H6	-1.859	0.063

	C1	N2	O3	H4	H5	H6
C1		1.2674	2.2205	1.0750	1.0706	3.0057
N2	1.2674		1.4082	2.0577	1.9989	1.9186
O3	2.2205	1.4082		2.4107	3.2129	0.9526
H4	1.0750	2.0577	2.4107		1.8585	3.3416
H5	1.0706	1.9989	3.2129	1.8585		3.8989
H6	3.0057	1.9186	0.9526	3.3416	3.8989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.072	N2	C1	H4	122.698
N2	C1	H5	117.262	N2	O3	H6	107.141
H4	C1	H5	120.040

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: HF/SDD

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	-0.282
2	N	0.012
3	O	-0.569
4	H	0.209
5	H	0.210
6	H	0.420

	x	y	z	Total
	0.637	-0.020	0.000	0.638
CHELPG
AIM
ESP

	x	y	z
x	5.262	-0.181	0.000
y	-0.181	2.596	0.000
z	0.000	0.000	1.258

<r²>	41.025
(<r²>)^1/2	6.405

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)