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	hartrees
Energy at 0K	-169.844193
Energy at 298.15K	-169.848049
HF Energy	-169.844193
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3657	3648	67.58
2	A'	3144	3136	4.87
3	A'	3019	3012	7.43
4	A'	1629	1625	6.26
5	A'	1410	1407	9.39
6	A'	1299	1296	85.50
7	A'	1138	1136	6.35
8	A'	816	814	125.70
9	A'	514	512	6.02
10	A"	934	932	37.83
11	A"	769	767	9.77
12	A"	433	432	134.21

Atom	x (Å)	y (Å)
C1	1.152	-0.007
N2	0.000	0.548
O3	-1.047	-0.436
H4	1.300	-1.092
H5	2.008	0.666
H6	-1.845	0.124

	C1	N2	O3	H4	H5	H6
C1		1.2789	2.2407	1.0949	1.0891	3.0004
N2	1.2789		1.4366	2.0929	2.0114	1.8932
O3	2.2407	1.4366		2.4374	3.2478	0.9754
H4	1.0949	2.0929	2.4374		1.8955	3.3728
H5	1.0891	2.0114	3.2478	1.8955		3.8912
H6	3.0004	1.8932	0.9754	3.3728	3.8912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.068	N2	C1	H4	123.497
N2	C1	H5	116.069	N2	O3	H6	101.712
H4	C1	H5	120.434

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: BLYP/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	-0.167
2	N	-0.062
3	O	-0.292
4	H	0.107
5	H	0.134
6	H	0.280

	x	y	z	Total
	0.291	-0.043	0.000	0.294
CHELPG
AIM
ESP

	x	y	z
x	5.933	-0.079	0.000
y	-0.079	3.457	0.000
z	0.000	0.000	2.293

<r²>	41.812
(<r²>)^1/2	6.466

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)