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	hartrees
Energy at 0K	-168.781823
Energy at 298.15K	-168.785809
HF Energy	-168.781823
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3603	3454	40.42
2	A'	3290	3154	2.71
3	A'	3163	3032	0.09
4	A'	1703	1633	1.48
5	A'	1487	1426	7.44
6	A'	1354	1298	90.57
7	A'	1204	1154	7.39
8	A'	940	901	66.74
9	A'	516	495	10.11
10	A"	1057	1014	56.32
11	A"	829	795	0.96
12	A"	484	464	179.77

Atom	x (Å)	y (Å)
C1	1.147	0.009
N2	0.000	0.572
O3	-1.038	-0.465
H4	1.271	-1.069
H5	2.016	0.654
H6	-1.868	0.079

	C1	N2	O3	H4	H5	H6
C1		1.2780	2.2366	1.0852	1.0823	3.0161
N2	1.2780		1.4675	2.0756	2.0182	1.9316
O3	2.2366	1.4675		2.3870	3.2534	0.9924
H4	1.0852	2.0756	2.3870		1.8774	3.3425
H5	1.0823	2.0182	3.2534	1.8774		3.9266
H6	3.0161	1.9316	0.9924	3.3425	3.9266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	108.909	N2	C1	H4	122.669
N2	C1	H5	117.297	N2	O3	H6	101.740
H4	C1	H5	120.034

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: M06-2X/3-21G

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	-0.148
2	N	-0.213
3	O	-0.470
4	H	0.221
5	H	0.227
6	H	0.383

	x	y	z	Total
	0.322	0.060	0.000	0.327
CHELPG
AIM
ESP

	x	y	z
x	5.054	-0.050	0.000
y	-0.050	2.485	0.000
z	0.000	0.000	0.943

<r²>	41.505
(<r²>)^1/2	6.442

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)