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	hartrees
Energy at 0K	-168.799420
Energy at 298.15K	-168.803416
HF Energy	-168.799420
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4081	3673	104.78
2	A'	3470	3123	9.04
3	A'	3343	3008	6.68
4	A'	1873	1686	0.02
5	A'	1585	1427	13.48
6	A'	1445	1301	119.47
7	A'	1286	1157	10.79
8	A'	999	899	112.92
9	A'	549	494	11.15
10	A"	1176	1058	60.04
11	A"	865	778	0.14
12	A"	419	377	258.64

Atom	x (Å)	y (Å)
C1	1.146	-0.007
N2	0.000	0.535
O3	-1.037	-0.418
H4	1.284	-1.073
H5	1.996	0.643
H6	-1.859	0.063

	C1	N2	O3	H4	H5	H6
C1		1.2675	2.2207	1.0750	1.0706	3.0058
N2	1.2675		1.4082	2.0578	1.9990	1.9185
O3	2.2207	1.4082		2.4111	3.2130	0.9526
H4	1.0750	2.0578	2.4111		1.8585	3.3418
H5	1.0706	1.9990	3.2130	1.8585		3.8989
H6	3.0058	1.9185	0.9526	3.3418	3.8989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.078	N2	C1	H4	122.704
N2	C1	H5	117.263	N2	O3	H6	107.127
H4	C1	H5	120.034

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: HF/LANL2DZ

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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Number	Element	Mulliken
1	C	-0.279
2	N	0.011
3	O	-0.567
4	H	0.208
5	H	0.209
6	H	0.419

	x	y	z	Total
	0.639	-0.019	0.000	0.640
CHELPG
AIM
ESP

	x	y	z
x	5.261	-0.181	0.000
y	-0.181	2.595	0.000
z	0.000	0.000	1.236

<r²>	41.029
(<r²>)^1/2	6.405

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)