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	hartrees
Energy at 0K	-168.824139
Energy at 298.15K	-168.827909
HF Energy	-168.824139
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3303	3284	8.58
2	A'	3149	3131	9.42
3	A'	3041	3025	2.70
4	A'	1568	1559	3.48
5	A'	1428	1420	4.72
6	A'	1282	1275	82.15
7	A'	1132	1126	5.51
8	A'	828	823	69.90
9	A'	483	480	7.54
10	A"	933	928	53.94
11	A"	764	760	6.15
12	A"	375	373	129.41

Atom	x (Å)	y (Å)
C1	1.166	0.016
N2	0.000	0.584
O3	-1.058	-0.487
H4	1.318	-1.067
H5	2.034	0.678
H6	-1.883	0.099

	C1	N2	O3	H4	H5	H6
C1		1.2971	2.2810	1.0944	1.0913	3.0501
N2	1.2971		1.5059	2.1129	2.0366	1.9440
O3	2.2810	1.5059		2.4461	3.3050	1.0117
H4	1.0944	2.1129	2.4461		1.8866	3.4066
H5	1.0913	2.0366	3.3050	1.8866		3.9595
H6	3.0501	1.9440	1.0117	3.4066	3.9595

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	108.702	N2	C1	H4	123.916
N2	C1	H5	116.749	N2	O3	H6	99.216
H4	C1	H5	119.335

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: BLYP/3-21G

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	-0.135
2	N	-0.207
3	O	-0.395
4	H	0.191
5	H	0.200
6	H	0.346

	x	y	z	Total
	0.146	0.068	0.000	0.161
CHELPG
AIM
ESP

	x	y	z
x	5.452	-0.008	0.000
y	-0.008	2.660	0.000
z	0.000	0.000	0.977

<r²>	42.654
(<r²>)^1/2	6.531

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)