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	hartrees
Energy at 0K	-169.753586
Energy at 298.15K	-169.757534
HF Energy	-169.753586
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3870	3870	113.62
2	A'	3281	3281	2.19
3	A'	3134	3134	2.21
4	A'	1767	1767	3.51
5	A'	1441	1441	26.54
6	A'	1369	1369	73.18
7	A'	1193	1193	20.54
8	A'	1001	1001	110.74
9	A'	547	547	6.36
10	A"	991	991	34.29
11	A"	823	823	3.22
12	A"	414	414	135.53

Atom	x (Å)	y (Å)
C1	1.131	-0.043
N2	0.000	0.534
O3	-1.026	-0.389
H4	1.227	-1.135
H5	2.010	0.601
H6	-1.818	0.164

	C1	N2	O3	H4	H5	H6
C1		1.2695	2.1843	1.0964	1.0901	2.9559
N2	1.2695		1.3796	2.0715	2.0116	1.8549
O3	2.1843	1.3796		2.3734	3.1936	0.9658
H4	1.0964	2.0715	2.3734		1.9047	3.3105
H5	1.0901	2.0116	3.1936	1.9047		3.8531
H6	2.9559	1.8549	0.9658	3.3105	3.8531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.016	N2	C1	H4	122.052
N2	C1	H5	116.767	N2	O3	H6	103.110
H4	C1	H5	121.181

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: M06-2X/cc-pVDZ

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	0.024
2	N	-0.095
3	O	-0.208
4	H	0.043
5	H	0.056
6	H	0.179

	x	y	z	Total
	0.082	-0.011	0.000	0.083
CHELPG
AIM
ESP

	x	y	z
x	5.120	-0.178	0.000
y	-0.178	2.867	0.000
z	0.000	0.000	1.571

<r²>	40.094
(<r²>)^1/2	6.332

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: M06-2X/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)