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	hartrees
Energy at 0K	-169.817522
Energy at 298.15K	-169.821467
HF Energy	-169.817522
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3837	3703	92.99
2	A'	3230	3118	3.09
3	A'	3101	2993	6.52
4	A'	1722	1662	7.10
5	A'	1447	1397	17.13
6	A'	1353	1306	79.32
7	A'	1178	1137	13.58
8	A'	945	912	128.51
9	A'	535	517	6.58
10	A"	978	944	34.61
11	A"	803	775	7.31
12	A"	438	423	124.01

Atom	x (Å)	y (Å)
C1	1.136	-0.028
N2	0.000	0.528
O3	-1.032	-0.400
H4	1.265	-1.109
H5	1.995	0.630
H6	-1.820	0.151

	C1	N2	O3	H4	H5	H6
C1		1.2647	2.1991	1.0881	1.0822	2.9614
N2	1.2647		1.3877	2.0688	1.9972	1.8590
O3	2.1991	1.3877		2.4039	3.1968	0.9615
H4	1.0881	2.0688	2.4039		1.8856	3.3325
H5	1.0822	1.9972	3.1968	1.8856		3.8448
H6	2.9614	1.8590	0.9615	3.3325	3.8448

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.934	N2	C1	H4	122.934
N2	C1	H5	116.427	N2	O3	H6	103.117
H4	C1	H5	120.639

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B3PW91/aug-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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Number	Element	Mulliken
1	C	-0.480
2	N	-0.199
3	O	-0.255
4	H	0.384
5	H	0.395
6	H	0.155

	x	y	z	Total
	0.250	-0.158	0.000	0.296
CHELPG
AIM
ESP

	x	y	z
x	5.983	-0.062	0.000
y	-0.062	3.862	0.000
z	0.000	0.000	2.999

<r²>	40.548
(<r²>)^1/2	6.368

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)