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	hartrees
Energy at 0K	-169.562850
Energy at 298.15K	-169.566797
HF Energy	-168.910892
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3869	3673	103.39
2	A'	3304	3137	1.79
3	A'	3178	3017	3.73
4	A'	1690	1605	4.86
5	A'	1472	1397	11.88
6	A'	1356	1288	78.61
7	A'	1194	1134	10.23
8	A'	947	899	104.71
9	A'	535	508	6.42
10	A"	999	948	35.02
11	A"	815	774	5.64
12	A"	429	407	126.51

Atom	x (Å)	y (Å)
C1	1.135	-0.037
N2	0.000	0.538
O3	-1.029	-0.400
H4	1.235	-1.113
H5	1.995	0.607
H6	-1.810	0.159

	C1	N2	O3	H4	H5	H6
C1		1.2724	2.1936	1.0801	1.0741	2.9514
N2	1.2724		1.3922	2.0617	1.9958	1.8495
O3	2.1936	1.3922		2.3731	3.1864	0.9605
H4	1.0801	2.0617	2.3731		1.8797	3.2997
H5	1.0741	1.9958	3.1864	1.8797		3.8310
H6	2.9514	1.8495	0.9605	3.2997	3.8310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.745	N2	C1	H4	122.205
N2	C1	H5	116.280	N2	O3	H6	102.085
H4	C1	H5	121.515

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: MP2=FULL/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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All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)