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	hartrees
Energy at 0K	-169.441203
Energy at 298.15K	-169.445109
HF Energy	-168.906032
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3906	3703	74.49
2	A'	3296	3124	4.44
3	A'	3170	3005	3.78
4	A'	1746	1655	1.59
5	A'	1495	1417	11.31
6	A'	1388	1316	82.25
7	A'	1222	1158	7.16
8	A'	959	909	91.77
9	A'	547	519	6.14
10	A"	981	930	36.50
11	A"	802	760	3.60
12	A"	381	361	147.50

Atom	x (Å)	y (Å)
C1	1.134	-0.029
N2	0.000	0.541
O3	-1.029	-0.407
H4	1.244	-1.109
H5	2.001	0.614
H6	-1.818	0.140

	C1	N2	O3	H4	H5	H6
C1		1.2693	2.1956	1.0855	1.0801	2.9569
N2	1.2693		1.3992	2.0669	2.0026	1.8619
O3	2.1956	1.3992		2.3793	3.1977	0.9601
H4	1.0855	2.0669	2.3793		1.8824	3.3074
H5	1.0801	2.0026	3.1977	1.8824		3.8488
H6	2.9569	1.8619	0.9601	3.3074	3.8488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.630	N2	C1	H4	122.552
N2	C1	H5	116.712	N2	O3	H6	102.621
H4	C1	H5	120.736

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: CCD/TZVP

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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All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: CCD/TZVP

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)