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	hartrees
Energy at 0K	-169.617702
Energy at 298.15K	-169.621584
HF Energy	-169.617702
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3633	3581	52.04
2	A'	3183	3137	6.88
3	A'	3053	3009	7.76
4	A'	1663	1639	4.01
5	A'	1428	1407	19.91
6	A'	1333	1314	79.07
7	A'	1155	1138	12.37
8	A'	913	899	112.19
9	A'	516	509	6.03
10	A"	900	887	34.98
11	A"	778	767	13.08
12	A"	452	446	122.55

Atom	x (Å)	y (Å)
C1	1.147	-0.039
N2	0.000	0.541
O3	-1.044	-0.403
H4	1.276	-1.131
H5	2.021	0.619
H6	-1.833	0.177

	C1	N2	O3	H4	H5	H6
C1		1.2856	2.2210	1.1000	1.0936	2.9887
N2	1.2856		1.4069	2.1036	2.0223	1.8693
O3	2.2210	1.4069		2.4315	3.2302	0.9798
H4	1.1000	2.1036	2.4315		1.9023	3.3737
H5	1.0936	2.0223	3.2302	1.9023		3.8796
H6	2.9887	1.8693	0.9798	3.3737	3.8796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.070	N2	C1	H4	123.533
N2	C1	H5	116.191	N2	O3	H6	101.611
H4	C1	H5	120.276

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: PBEPBE/6-31G*

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	-0.167
2	N	-0.111
3	O	-0.471
4	H	0.161
5	H	0.174
6	H	0.413

	x	y	z	Total
	-0.040	-0.028	0.000	0.049
CHELPG
AIM
ESP

	x	y	z
x	5.377	-0.156	0.000
y	-0.156	2.957	0.000
z	0.000	0.000	1.472

<r²>	40.979
(<r²>)^1/2	6.401

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)