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	hartrees
Energy at 0K	-169.699384
Energy at 298.15K	-169.703350
HF Energy	-169.699384
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3865	3710	98.21
2	A'	3251	3121	3.21
3	A'	3119	2995	5.20
4	A'	1742	1672	6.70
5	A'	1457	1399	18.26
6	A'	1365	1311	89.71
7	A'	1191	1144	11.79
8	A'	958	920	131.36
9	A'	539	518	6.10
10	A"	990	951	39.89
11	A"	810	778	7.06
12	A"	451	433	148.47

Atom	x (Å)	y (Å)
C1	1.134	-0.030
N2	0.000	0.527
O3	-1.030	-0.398
H4	1.262	-1.112
H5	1.994	0.628
H6	-1.818	0.154

	C1	N2	O3	H4	H5	H6
C1		1.2634	2.1952	1.0892	1.0829	2.9575
N2	1.2634		1.3843	2.0681	1.9969	1.8559
O3	2.1952	1.3843		2.4004	3.1936	0.9613
H4	1.0892	2.0681	2.4004		1.8872	3.3292
H5	1.0829	1.9969	3.1936	1.8872		3.8416
H6	2.9575	1.8559	0.9613	3.3292	3.8416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.929	N2	C1	H4	122.892
N2	C1	H5	116.454	N2	O3	H6	103.113
H4	C1	H5	120.655

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: HSEh1PBE/TZVP

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	-0.197
2	N	-0.058
3	O	-0.292
4	H	0.115
5	H	0.140
6	H	0.291

	x	y	z	Total
	0.186	-0.081	0.000	0.203
CHELPG
AIM
ESP

	x	y	z
x	5.507	-0.184	0.000
y	-0.184	3.234	0.000
z	0.000	0.000	2.208

<r²>	40.425
(<r²>)^1/2	6.358

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: HSEh1PBE/TZVP

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)