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	hartrees
Energy at 0K	-169.660764
Energy at 298.15K	-169.664690
HF Energy	-169.497769
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3811	3650	95.25
2	A'	3273	3135	4.25
3	A'	3133	3001	4.38
4	A'	1701	1629	3.36
5	A'	1444	1383	18.43
6	A'	1354	1297	76.58
7	A'	1178	1128	13.70
8	A'	937	898	113.07
9	A'	531	509	5.67
10	A"	959	919	30.91
11	A"	803	769	6.03
12	A"	432	414	125.19

Atom	x (Å)	y (Å)
C1	1.139	-0.042
N2	0.000	0.540
O3	-1.035	-0.397
H4	1.246	-1.134
H5	2.016	0.607
H6	-1.819	0.169

	C1	N2	O3	H4	H5	H6
C1		1.2795	2.2033	1.0970	1.0908	2.9663
N2	1.2795		1.3961	2.0869	2.0174	1.8568
O3	2.2033	1.3961		2.3975	3.2122	0.9670
H4	1.0970	2.0869	2.3975		1.9033	3.3310
H5	1.0908	2.0174	3.2122	1.9033		3.8606
H6	2.9663	1.8568	0.9670	3.3310	3.8606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.794	N2	C1	H4	122.648
N2	C1	H5	116.441	N2	O3	H6	102.047
H4	C1	H5	120.911

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B2PLYP/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	0.046
2	N	-0.094
3	O	-0.195
4	H	0.029
5	H	0.046
6	H	0.168

	x	y	z	Total
	0.075	0.003	0.000	0.075
CHELPG
AIM
ESP

	x	y	z
x	5.235	-0.161	0.000
y	-0.161	2.914	0.000
z	0.000	0.000	1.570

<r²>	40.616
(<r²>)^1/2	6.373

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)