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	hartrees
Energy at 0K	-168.243601
Energy at 298.15K	-168.247390
HF Energy	-167.892333
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3469	3334	11.37
2	A'	3220	3095	8.06
3	A'	3117	2996	2.02
4	A'	1623	1560	2.76
5	A'	1475	1418	7.07
6	A'	1318	1267	69.21
7	A'	1188	1142	7.87
8	A'	847	814	40.20
9	A'	495	476	10.07
10	A"	994	955	44.38
11	A"	778	748	0.73
12	A"	356	342	164.15

Atom	x (Å)	y (Å)
C1	1.161	0.016
N2	0.000	0.589
O3	-1.052	-0.486
H4	1.292	-1.066
H5	2.037	0.660
H6	-1.879	0.069

	C1	N2	O3	H4	H5	H6
C1		1.2953	2.2697	1.0894	1.0868	3.0408
N2	1.2953		1.5042	2.0995	2.0378	1.9496
O3	2.2697	1.5042		2.4146	3.2945	0.9957
H4	1.0894	2.0995	2.4146		1.8799	3.3676
H5	1.0868	2.0378	3.2945	1.8799		3.9599
H6	3.0408	1.9496	0.9957	3.3676	3.9599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	108.102	N2	C1	H4	123.151
N2	C1	H5	117.352	N2	O3	H6	100.521
H4	C1	H5	119.497

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)