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	hartrees
Energy at 0K	-169.716582
Energy at 298.15K	-169.720358
HF Energy	-169.716582
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3478	3452	24.51
2	A'	3183	3159	7.75
3	A'	3064	3041	2.59
4	A'	1604	1592	2.92
5	A'	1425	1415	6.21
6	A'	1280	1270	82.55
7	A'	1137	1128	5.10
8	A'	739	734	95.26
9	A'	487	483	7.51
10	A"	950	943	49.18
11	A"	758	752	6.23
12	A"	414	410	162.95

Atom	x (Å)	y (Å)
C1	1.170	0.016
N2	0.000	0.577
O3	-1.061	-0.479
H4	1.326	-1.068
H5	2.029	0.691
H6	-1.887	0.071

	C1	N2	O3	H4	H5	H6
C1		1.2978	2.2858	1.0955	1.0917	3.0584
N2	1.2978		1.4970	2.1129	2.0320	1.9542
O3	2.2858	1.4970		2.4585	3.3039	0.9924
H4	1.0955	2.1129	2.4585		1.8942	3.4091
H5	1.0917	2.0320	3.3039	1.8942		3.9651
H6	3.0584	1.9542	0.9924	3.4091	3.9651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	109.540	N2	C1	H4	123.750
N2	C1	H5	116.241	N2	O3	H6	101.510
H4	C1	H5	120.009

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.091
2	N	-0.113
3	O	-0.463
4	H	0.147
5	H	0.153
6	H	0.368

	x	y	z	Total
	0.374	0.090	0.000	0.385
CHELPG
AIM
ESP

	x	y	z
x	5.667	0.011	0.000
y	0.011	2.937	0.000
z	0.000	0.000	1.187

<r²>	42.824
(<r²>)^1/2	6.544

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)