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	hartrees
Energy at 0K	-169.683669
Energy at 298.15K	-169.687560
HF Energy	-169.683669
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3685	3529	52.27
2	A'	3291	3151	5.14
3	A'	3164	3030	1.47
4	A'	1703	1631	1.63
5	A'	1474	1412	10.54
6	A'	1341	1284	92.30
7	A'	1187	1137	5.35
8	A'	834	799	109.02
9	A'	511	490	7.90
10	A"	1013	970	57.66
11	A"	797	763	4.11
12	A"	439	421	196.55

Atom	x (Å)	y (Å)
C1	1.154	-0.002
N2	0.000	0.556
O3	-1.046	-0.443
H4	1.294	-1.081
H5	2.012	0.659
H6	-1.867	0.086

	C1	N2	O3	H4	H5	H6
C1		1.2825	2.2437	1.0874	1.0832	3.0226
N2	1.2825		1.4463	2.0869	2.0145	1.9254
O3	2.2437	1.4463		2.4253	3.2501	0.9767
H4	1.0874	2.0869	2.4253		1.8824	3.3696
H5	1.0832	2.0145	3.2501	1.8824		3.9210
H6	3.0226	1.9254	0.9767	3.3696	3.9210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.474	N2	C1	H4	123.217
N2	C1	H5	116.511	N2	O3	H6	103.539
H4	C1	H5	120.272

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B3PW91/6-31G

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	-0.153
2	N	-0.113
3	O	-0.517
4	H	0.187
5	H	0.193
6	H	0.403

	x	y	z	Total
	0.351	0.048	0.000	0.354
CHELPG
AIM
ESP

	x	y	z
x	5.336	-0.072	0.000
y	-0.072	2.782	0.000
z	0.000	0.000	1.180

<r²>	41.587
(<r²>)^1/2	6.449

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)