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	hartrees
Energy at 0K	-169.829407
Energy at 298.15K	-169.833321
HF Energy	-169.829407
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3819	3682	95.53
2	A'	3248	3131	3.75
3	A'	3118	3006	5.34
4	A'	1717	1656	6.35
5	A'	1451	1399	11.56
6	A'	1346	1298	92.10
7	A'	1180	1137	10.18
8	A'	921	888	132.02
9	A'	534	515	6.51
10	A"	978	943	40.40
11	A"	795	767	7.34
12	A"	427	411	151.97

Atom	x (Å)	y (Å)
C1	1.142	-0.026
N2	0.000	0.538
O3	-1.037	-0.409
H4	1.267	-1.110
H5	2.006	0.631
H6	-1.835	0.137

	C1	N2	O3	H4	H5	H6
C1		1.2740	2.2122	1.0908	1.0850	2.9819
N2	1.2740		1.4038	2.0788	2.0080	1.8784
O3	2.2122	1.4038		2.4083	3.2151	0.9674
H4	1.0908	2.0788	2.4083		1.8908	3.3438
H5	1.0850	2.0080	3.2151	1.8908		3.8725
H6	2.9819	1.8784	0.9674	3.3438	3.8725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.316	N2	C1	H4	122.864
N2	C1	H5	116.454	N2	O3	H6	103.235
H4	C1	H5	120.682

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B3LYP/6-31+G**

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	-0.189
2	N	-0.154
3	O	-0.323
4	H	0.150
5	H	0.155
6	H	0.361

	x	y	z	Total
	0.310	-0.078	0.000	0.319
CHELPG
AIM
ESP

	x	y	z
x	5.733	-0.113	0.000
y	-0.113	3.528	0.000
z	0.000	0.000	2.525

<r²>	41.088
(<r²>)^1/2	6.410

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)