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	hartrees
Energy at 0K	-169.850789
Energy at 298.15K	-169.854632
HF Energy	-169.850789
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3659	3647	73.36
2	A'	3139	3129	3.70
3	A'	3016	3006	8.15
4	A'	1628	1623	7.66
5	A'	1405	1401	9.18
6	A'	1297	1292	77.23
7	A'	1132	1128	8.76
8	A'	822	819	126.37
9	A'	515	513	6.50
10	A"	933	930	32.72
11	A"	768	766	9.12
12	A"	413	412	113.95

Atom	x (Å)	y (Å)
C1	1.151	-0.008
N2	0.000	0.546
O3	-1.046	-0.434
H4	1.296	-1.091
H5	2.006	0.664
H6	-1.845	0.122

	C1	N2	O3	H4	H5	H6
C1		1.2776	2.2377	1.0933	1.0874	2.9987
N2	1.2776		1.4333	2.0888	2.0098	1.8929
O3	2.2377	1.4333		2.4324	3.2434	0.9737
H4	1.0933	2.0888	2.4324		1.8934	3.3674
H5	1.0874	2.0098	3.2434	1.8934		3.8890
H6	2.9987	1.8929	0.9737	3.3674	3.8890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.130	N2	C1	H4	123.342
N2	C1	H5	116.144	N2	O3	H6	102.006
H4	C1	H5	120.514

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: BLYP/aug-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	-0.472
2	N	-0.167
3	O	-0.268
4	H	0.359
5	H	0.385
6	H	0.163

	x	y	z	Total
	0.371	-0.121	0.000	0.391
CHELPG
AIM
ESP

	x	y	z
x	6.461	0.026	0.000
y	0.026	4.181	0.000
z	0.000	0.000	3.203

<r²>	41.841
(<r²>)^1/2	6.468

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)