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	hartrees
Energy at 0K	-169.883485
Energy at 298.15K	-169.887415
HF Energy	-169.883485
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3815	3687	88.57
2	A'	3220	3112	4.97
3	A'	3094	2991	6.92
4	A'	1713	1656	4.22
5	A'	1453	1405	15.81
6	A'	1353	1308	82.88
7	A'	1182	1142	13.01
8	A'	920	889	124.23
9	A'	536	518	6.67
10	A"	982	950	33.28
11	A"	802	775	6.72
12	A"	427	413	124.76

Atom	x (Å)	y (Å)
C1	1.138	-0.021
N2	0.000	0.533
O3	-1.033	-0.410
H4	1.268	-1.100
H5	1.997	0.636
H6	-1.824	0.139

	C1	N2	O3	H4	H5	H6
C1		1.2656	2.2057	1.0870	1.0812	2.9664
N2	1.2656		1.3991	2.0679	1.9993	1.8665
O3	2.2057	1.3991		2.4029	3.2054	0.9626
H4	1.0870	2.0679	2.4029		1.8825	3.3315
H5	1.0812	1.9993	3.2054	1.8825		3.8532
H6	2.9664	1.8665	0.9626	3.3315	3.8532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.643	N2	C1	H4	122.867
N2	C1	H5	116.625	N2	O3	H6	102.866
H4	C1	H5	120.508

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B3LYP/cc-pVTZ

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	-0.129
2	N	-0.041
3	O	-0.247
4	H	0.081
5	H	0.117
6	H	0.220

	x	y	z	Total
	0.218	-0.091	0.000	0.236
CHELPG
AIM
ESP

	x	y	z
x	5.622	-0.109	0.000
y	-0.109	3.342	0.000
z	0.000	0.000	2.240

<r²>	40.658
(<r²>)^1/2	6.376

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)