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	hartrees
Energy at 0K	-169.784817
Energy at 298.15K	-169.788775
HF Energy	-169.784817
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3822	3679	64.38
2	A'	3238	3117	7.32
3	A'	3107	2991	9.01
4	A'	1735	1670	2.93
5	A'	1468	1413	31.89
6	A'	1382	1330	81.54
7	A'	1198	1153	13.53
8	A'	960	924	124.96
9	A'	537	517	6.89
10	A"	957	922	38.60
11	A"	807	777	8.95
12	A"	459	442	159.51

Atom	x (Å)	y (Å)
C1	1.136	-0.033
N2	0.000	0.530
O3	-1.031	-0.395
H4	1.259	-1.117
H5	2.000	0.621
H6	-1.823	0.151

	C1	N2	O3	H4	H5	H6
C1		1.2674	2.1971	1.0904	1.0844	2.9643
N2	1.2674		1.3854	2.0723	2.0025	1.8618
O3	2.1971	1.3854		2.4010	3.1976	0.9618
H4	1.0904	2.0723	2.4010		1.8894	3.3322
H5	1.0844	2.0025	3.1976	1.8894		3.8521
H6	2.9643	1.8618	0.9618	3.3322	3.8521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.752	N2	C1	H4	122.845
N2	C1	H5	116.526	N2	O3	H6	103.495
H4	C1	H5	120.629

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B3PW91/6-311G*

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	-0.088
3	O	-0.485
4	H	0.210
5	H	0.229
6	H	0.416

	x	y	z	Total
	0.066	0.026	0.000	0.071
CHELPG
AIM
ESP

	x	y	z
x	5.280	-0.202	0.000
y	-0.202	2.956	0.000
z	0.000	0.000	1.720

<r²>	40.352
(<r²>)^1/2	6.352

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)