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	hartrees
Energy at 0K	-167.533575
Energy at 298.15K	-167.537388
HF Energy	-167.533575
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3790	3790	9.66
2	A'	3567	3567	2.56
3	A'	3387	3387	23.14
4	A'	1757	1757	3.47
5	A'	1562	1562	15.67
6	A'	1470	1470	44.33
7	A'	1267	1267	12.09
8	A'	1067	1067	31.89
9	A'	516	516	3.39
10	A"	957	957	34.32
11	A"	815	815	0.62
12	A"	473	473	72.87

Atom	x (Å)	y (Å)
C1	1.164	-0.053
N2	0.000	0.569
O3	-1.058	-0.414
H4	1.281	-1.148
H5	2.062	0.576
H6	-1.863	0.220

	C1	N2	O3	H4	H5	H6
C1		1.3199	2.2511	1.1008	1.0970	3.0396
N2	1.3199		1.4444	2.1422	2.0625	1.8958
O3	2.2511	1.4444		2.4516	3.2739	1.0251
H4	1.1008	2.1422	2.4516		1.8926	3.4292
H5	1.0970	2.0625	3.2739	1.8926		3.9419
H6	3.0396	1.8958	1.0251	3.4292	3.9419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	108.963	N2	C1	H4	124.252
N2	C1	H5	116.859	N2	O3	H6	98.873
H4	C1	H5	118.889

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: wB97X-D/STO-3G

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	-0.088
2	N	-0.128
3	O	-0.173
4	H	0.089
5	H	0.094
6	H	0.206

	x	y	z	Total
	-0.209	-0.215	0.000	0.300
CHELPG
AIM
ESP

	x	y	z
x	3.901	-0.178	0.000
y	-0.178	1.473	0.000
z	0.000	0.000	0.453

<r²>	41.394
(<r²>)^1/2	6.434

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)