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	hartrees
Energy at 0K	-167.897520
Energy at 298.15K	-167.901470
HF Energy	-167.897520
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3882	3504	69.07
2	A'	3417	3084	6.43
3	A'	3316	2993	2.57
4	A'	1869	1687	2.38
5	A'	1597	1441	7.49
6	A'	1449	1308	96.24
7	A'	1299	1172	12.82
8	A'	994	897	65.20
9	A'	547	493	12.44
10	A"	1172	1058	52.31
11	A"	868	784	0.01
12	A"	369	333	214.62

Atom	x (Å)	y (Å)
C1	1.136	0.022
N2	0.000	0.556
O3	-1.029	-0.461
H4	1.277	-1.041
H5	1.991	0.666
H6	-1.853	0.044

	C1	N2	O3	H4	H5	H6
C1		1.2553	2.2183	1.0722	1.0704	2.9890
N2	1.2553		1.4465	2.0445	1.9942	1.9221
O3	2.2183	1.4465		2.3775	3.2234	0.9665
H4	1.0722	2.0445	2.3775		1.8504	3.3125
H5	1.0704	1.9942	3.2234	1.8504		3.8939
H6	2.9890	1.9221	0.9665	3.3125	3.8939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.176	N2	C1	H4	122.702
N2	C1	H5	117.846	N2	O3	H6	103.820
H4	C1	H5	119.453

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: HF/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	-0.113
2	N	-0.227
3	O	-0.542
4	H	0.236
5	H	0.237
6	H	0.411

	x	y	z	Total
	0.567	0.062	0.000	0.571
CHELPG
AIM
ESP

	x	y	z
x	5.041	-0.051	0.000
y	-0.051	2.375	0.000
z	0.000	0.000	0.896

<r²>	40.873
(<r²>)^1/2	6.393

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)