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	hartrees
Energy at 0K	-169.790842
Energy at 298.15K	-169.794674
HF Energy	-169.790842
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3665	3645	75.28
2	A'	3162	3146	4.61
3	A'	3033	3017	7.19
4	A'	1630	1622	8.11
5	A'	1404	1397	8.16
6	A'	1293	1286	86.19
7	A'	1133	1127	6.99
8	A'	832	828	130.10
9	A'	512	510	6.23
10	A"	923	918	39.59
11	A"	763	759	10.67
12	A"	419	416	138.83

Atom	x (Å)	y (Å)
C1	1.155	-0.017
N2	0.000	0.551
O3	-1.049	-0.429
H4	1.292	-1.106
H5	2.019	0.652
H6	-1.852	0.129

	C1	N2	O3	H4	H5	H6
C1		1.2873	2.2423	1.0981	1.0923	3.0110
N2	1.2873		1.4356	2.1013	2.0213	1.8996
O3	2.2423	1.4356		2.4364	3.2526	0.9785
H4	1.0981	2.1013	2.4364		1.9030	3.3779
H5	1.0923	2.0213	3.2526	1.9030		3.9061
H6	3.0110	1.8996	0.9785	3.3779	3.9061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.762	N2	C1	H4	123.302
N2	C1	H5	116.059	N2	O3	H6	102.127
H4	C1	H5	120.639

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: BLYP/6-31+G**

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	-0.191
2	N	-0.155
3	O	-0.300
4	H	0.146
5	H	0.151
6	H	0.350

	x	y	z	Total
	0.325	-0.057	0.000	0.330
CHELPG
AIM
ESP

	x	y	z
x	6.082	-0.049	0.000
y	-0.049	3.758	0.000
z	0.000	0.000	2.666

<r²>	42.036
(<r²>)^1/2	6.483

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)