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	hartrees
Energy at 0K	-33.262732
Energy at 298.15K	-33.266607
HF Energy	-33.262732
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3795	3665	61.17
2	A'	3232	3121	14.42
3	A'	3111	3004	12.95
4	A'	1701	1643	1.68
5	A'	1441	1392	15.24
6	A'	1346	1300	87.78
7	A'	1169	1129	10.09
8	A'	925	894	115.22
9	A'	521	503	6.84
10	A"	958	925	59.95
11	A"	785	758	6.62
12	A"	417	403	146.10

Atom	x (Å)	y (Å)
C1	1.151	-0.032
N2	0.000	0.548
O3	-1.046	-0.412
H4	1.274	-1.126
H5	2.026	0.626
H6	-1.841	0.152

	C1	N2	O3	H4	H5	H6
C1		1.2887	2.2292	1.1008	1.0947	2.9976
N2	1.2887		1.4190	2.1032	2.0277	1.8829
O3	2.2292	1.4190		2.4271	3.2423	0.9749
H4	1.1008	2.1032	2.4271		1.9063	3.3669
H5	1.0947	2.0277	3.2423	1.9063		3.8960
H6	2.9976	1.8829	0.9749	3.3669	3.8960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.743	N2	C1	H4	123.137
N2	C1	H5	116.351	N2	O3	H6	102.130
H4	C1	H5	120.512

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B3LYP/CEP-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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Number	Element	Mulliken
1	C	-0.588
2	N	0.166
3	O	-0.424
4	H	0.216
5	H	0.241
6	H	0.389

	x	y	z	Total
	0.346	-0.099	0.000	0.360
CHELPG
AIM
ESP

	x	y	z
x	5.403	-0.141	0.000
y	-0.141	2.791	0.000
z	0.000	0.000	1.750

<r²>	35.451
(<r²>)^1/2	5.954

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)