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	hartrees
Energy at 0K	-168.944769
Energy at 298.15K	-168.948711
HF Energy	-168.944769
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3721	3661	94.98
2	A'	3180	3129	1.77
3	A'	3033	2985	5.48
4	A'	1698	1671	9.75
5	A'	1386	1364	28.83
6	A'	1309	1288	75.19
7	A'	1149	1130	26.45
8	A'	989	973	105.11
9	A'	521	513	6.91
10	A"	906	892	27.35
11	A"	786	774	15.16
12	A"	482	475	113.68

Atom	x (Å)	y (Å)
C1	1.134	-0.052
N2	0.000	0.523
O3	-1.030	-0.375
H4	1.243	-1.146
H5	2.013	0.597
H6	-1.816	0.198

	C1	N2	O3	H4	H5	H6
C1		1.2711	2.1881	1.1002	1.0925	2.9604
N2	1.2711		1.3668	2.0813	2.0139	1.8448
O3	2.1881	1.3668		2.4003	3.1945	0.9729
H4	1.1002	2.0813	2.4003		1.9062	3.3414
H5	1.0925	2.0139	3.1945	1.9062		3.8493
H6	2.9604	1.8448	0.9729	3.3414	3.8493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.035	N2	C1	H4	122.568
N2	C1	H5	116.672	N2	O3	H6	102.785
H4	C1	H5	120.761

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: LSDA/6-31G(2df,p)

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	-0.281
2	N	0.008
3	O	-0.368
4	H	0.143
5	H	0.161
6	H	0.336

	x	y	z	Total
	-0.208	-0.105	0.000	0.232
CHELPG
AIM
ESP

	x	y	z
x	5.397	-0.150	0.000
y	-0.150	3.122	0.000
z	0.000	0.000	1.890

<r²>	40.072
(<r²>)^1/2	6.330

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)