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	hartrees
Energy at 0K	-169.891617
Energy at 298.15K	-169.895551
HF Energy	-169.891617
Nuclear repulsion energy	70.892251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3825	3682	90.17
2	A'	3226	3105	4.12
3	A'	3099	2983	6.49
4	A'	1715	1650	4.75
5	A'	1454	1400	15.02
6	A'	1353	1303	83.93
7	A'	1182	1138	12.04
8	A'	919	884	127.77
9	A'	537	517	6.71
10	A"	984	947	34.39
11	A"	801	771	6.92
12	A"	438	422	129.22

Atom	x (Å)	y (Å)
C1	1.144	-0.021
N2	0.000	0.519
O3	-1.039	-0.399
H4	1.285	-1.100
H5	2.000	0.640
H6	-1.831	0.145

	C1	N2	O3	H4	H5	H6
C1		1.2648	2.2154	1.0878	1.0814	2.9794
N2	1.2648		1.3873	2.0672	2.0033	1.8691
O3	2.2154	1.3873		2.4279	3.2117	0.9609
H4	1.0878	2.0672	2.4279		1.8801	3.3559
H5	1.0814	2.0033	3.2117	1.8801		3.8627
H6	2.9794	1.8691	0.9609	3.3559	3.8627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.222	N2	C1	H4	122.794
N2	C1	H5	117.047	N2	O3	H6	104.016
H4	C1	H5	120.159

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B3LYP/Def2TZVPP

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	-0.123
2	N	-0.077
3	O	-0.225
4	H	0.099
5	H	0.117
6	H	0.210

	x	y	z	Total
	0.260	-0.117	0.000	0.285
CHELPG
AIM
ESP

	x	y	z
x	5.728	-0.103	0.000
y	-0.103	3.455	0.000
z	0.000	0.000	2.480

<r²>	40.740
(<r²>)^1/2	6.383

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)