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	hartrees
Energy at 0K	-169.805965
Energy at 298.15K	-169.809832
HF Energy	-169.805965
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3655	3648	72.34
2	A'	3156	3150	3.91
3	A'	3018	3013	7.68
4	A'	1624	1621	8.52
5	A'	1396	1393	11.83
6	A'	1298	1295	77.11
7	A'	1126	1123	9.19
8	A'	834	833	126.00
9	A'	515	514	6.46
10	A"	930	928	34.51
11	A"	762	761	10.27
12	A"	439	438	113.72

Atom	x (Å)	y (Å)
C1	1.154	-0.019
N2	0.000	0.550
O3	-1.048	-0.426
H4	1.288	-1.113
H5	2.021	0.653
H6	-1.850	0.132

	C1	N2	O3	H4	H5	H6
C1		1.2869	2.2400	1.1023	1.0963	3.0083
N2	1.2869		1.4322	2.1035	2.0232	1.8967
O3	2.2400	1.4322		2.4354	3.2530	0.9769
H4	1.1023	2.1035	2.4354		1.9120	3.3762
H5	1.0963	2.0232	3.2530	1.9120		3.9056
H6	3.0083	1.8967	0.9769	3.3762	3.9056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.823	N2	C1	H4	123.195
N2	C1	H5	115.964	N2	O3	H6	102.213
H4	C1	H5	120.842

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: BLYP/aug-cc-pVDZ

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	0.945
2	N	-0.028
3	O	-0.310
4	H	-0.303
5	H	-0.393
6	H	0.089

	x	y	z	Total
	0.344	-0.141	0.000	0.372
CHELPG
AIM
ESP

	x	y	z
x	6.493	-0.010	0.000
y	-0.010	4.163	-0.000
z	0.000	-0.000	3.139

<r²>	42.029
(<r²>)^1/2	6.483

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)