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	hartrees
Energy at 0K	-168.916617
Energy at 298.15K	-168.920645
HF Energy	-168.916617
Nuclear repulsion energy	72.217115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4174	3776	128.64
2	A'	3377	3055	6.04
3	A'	3260	2949	6.58
4	A'	1908	1726	1.28
5	A'	1582	1431	21.87
6	A'	1487	1345	92.15
7	A'	1299	1175	21.59
8	A'	1068	966	121.67
9	A'	581	526	8.28
10	A"	1141	1032	34.22
11	A"	874	791	2.42
12	A"	409	370	150.62

Atom	x (Å)	y (Å)
C1	1.121	-0.024
N2	0.000	0.516
O3	-1.018	-0.390
H4	1.246	-1.095
H5	1.977	0.621
H6	-1.803	0.127

	C1	N2	O3	H4	H5	H6
C1		1.2443	2.1697	1.0773	1.0723	2.9273
N2	1.2443		1.3629	2.0362	1.9798	1.8443
O3	2.1697	1.3629		2.3706	3.1610	0.9397
H4	1.0773	2.0362	2.3706		1.8648	3.2839
H5	1.0723	1.9798	3.1610	1.8648		3.8119
H6	2.9273	1.8443	0.9397	3.2839	3.8119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.565	N2	C1	H4	122.414
N2	C1	H5	117.239	N2	O3	H6	104.953
H4	C1	H5	120.347

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: HF/daug-cc-pVTZ

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	-1.141
2	N	-1.047
3	O	-0.734
4	H	1.087
5	H	1.286
6	H	0.548

	x	y	z	Total
	0.468	-0.178	0.000	0.501
CHELPG
AIM
ESP

	x	y	z
x	5.534	-0.127	0.000
y	-0.127	3.505	0.000
z	0.000	0.000	2.790

<r²>	39.674
(<r²>)^1/2	6.299

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)