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	hartrees
Energy at 0K	-169.780943
Energy at 298.15K	-169.784802
HF Energy	-169.780943
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3607	3613	63.65
2	A'	3143	3149	6.66
3	A'	3005	3010	8.20
4	A'	1626	1629	4.97
5	A'	1383	1386	16.02
6	A'	1297	1299	73.07
7	A'	1125	1126	12.03
8	A'	862	863	115.96
9	A'	511	512	5.15
10	A"	902	903	26.73
11	A"	769	770	9.56
12	A"	437	438	106.96

Atom	x (Å)	y (Å)
C1	1.151	-0.031
N2	0.000	0.548
O3	-1.047	-0.415
H4	1.279	-1.130
H5	2.028	0.633
H6	-1.839	0.164

	C1	N2	O3	H4	H5	H6
C1		1.2886	2.2317	1.1062	1.0996	2.9966
N2	1.2886		1.4221	2.1096	2.0295	1.8786
O3	2.2317	1.4221		2.4338	3.2485	0.9804
H4	1.1062	2.1096	2.4338		1.9154	3.3757
H5	1.0996	2.0295	3.2485	1.9154		3.8950
H6	2.9966	1.8786	0.9804	3.3757	3.8950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.732	N2	C1	H4	123.320
N2	C1	H5	116.152	N2	O3	H6	101.281
H4	C1	H5	120.528

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: BLYP/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	0.069
2	N	-0.087
3	O	-0.164
4	H	0.003
5	H	0.022
6	H	0.156

	x	y	z	Total
	-0.046	0.023	0.000	0.052
CHELPG
AIM
ESP

	x	y	z
x	5.597	-0.137	0.000
y	-0.137	3.079	0.000
z	0.000	0.000	1.602

<r²>	41.379
(<r²>)^1/2	6.433

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)