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	hartrees
Energy at 0K	-169.573635
Energy at 298.15K	-169.577608
HF Energy	-168.912171
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3961	3694	94.48
2	A'	3302	3079	3.09
3	A'	3190	2975	3.62
4	A'	1770	1650	2.55
5	A'	1499	1398	18.86
6	A'	1399	1305	78.15
7	A'	1226	1143	12.71
8	A'	989	922	99.97
9	A'	548	511	6.60
10	A"	1032	962	34.68
11	A"	824	769	3.74
12	A"	423	395	131.20

Atom	x (Å)	y (Å)
C1	1.129	-0.034
N2	0.000	0.532
O3	-1.024	-0.397
H4	1.235	-1.107
H5	1.991	0.606
H6	-1.808	0.148

	C1	N2	O3	H4	H5	H6
C1		1.2632	2.1842	1.0790	1.0736	2.9426
N2	1.2632		1.3828	2.0527	1.9927	1.8481
O3	2.1842	1.3828		2.3684	3.1781	0.9538
H4	1.0790	2.0527	2.3684		1.8734	3.2912
H5	1.0736	1.9927	3.1781	1.8734		3.8266
H6	2.9426	1.8481	0.9538	3.2912	3.8266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.189	N2	C1	H4	122.216
N2	C1	H5	116.794	N2	O3	H6	103.005
H4	C1	H5	120.990

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: MP3=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: MP3=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)