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	hartrees
Energy at 0K	-169.823453
Energy at 298.15K	-169.827386
HF Energy	-169.823453
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3658	88.19
2	A'	3232	3135	5.05
3	A'	3095	3002	5.31
4	A'	1715	1663	4.06
5	A'	1431	1388	21.19
6	A'	1349	1308	76.15
7	A'	1171	1136	15.75
8	A'	939	910	120.71
9	A'	531	515	5.62
10	A"	957	929	29.35
11	A"	799	775	6.35
12	A"	443	430	121.82

Atom	x (Å)	y (Å)
C1	1.139	-0.037
N2	0.000	0.536
O3	-1.035	-0.398
H4	1.257	-1.129
H5	2.014	0.617
H6	-1.824	0.165

	C1	N2	O3	H4	H5	H6
C1		1.2750	2.2040	1.0987	1.0925	2.9696
N2	1.2750		1.3944	2.0864	2.0158	1.8611
O3	2.2040	1.3944		2.4061	3.2139	0.9690
H4	1.0987	2.0864	2.4061		1.9032	3.3416
H5	1.0925	2.0158	3.2139	1.9032		3.8645
H6	2.9696	1.8611	0.9690	3.3416	3.8645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.235	N2	C1	H4	122.872
N2	C1	H5	116.537	N2	O3	H6	102.404
H4	C1	H5	120.591

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B3LYP/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	0.056
2	N	-0.092
3	O	-0.183
4	H	0.019
5	H	0.037
6	H	0.164

	x	y	z	Total
	0.022	0.006	0.000	0.022
CHELPG
AIM
ESP

	x	y	z
x	5.328	-0.169	0.000
y	-0.169	2.940	0.000
z	0.000	0.000	1.581

<r²>	40.566
(<r²>)^1/2	6.369

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)