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	hartrees
Energy at 0K	-169.748452
Energy at 298.15K	-169.752379
HF Energy	-169.748452
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3905	3719	118.03
2	A'	3283	3126	2.35
3	A'	3145	2995	2.88
4	A'	1767	1682	5.13
5	A'	1457	1387	14.10
6	A'	1365	1299	94.16
7	A'	1198	1141	15.16
8	A'	995	947	119.58
9	A'	549	523	7.06
10	A"	1008	960	42.84
11	A"	817	778	3.93
12	A"	395	377	163.07

Atom	x (Å)	y (Å)
C1	1.134	-0.035
N2	0.000	0.534
O3	-1.027	-0.395
H4	1.238	-1.120
H5	2.003	0.611
H6	-1.827	0.143

	C1	N2	O3	H4	H5	H6
C1		1.2687	2.1905	1.0900	1.0837	2.9664
N2	1.2687		1.3848	2.0663	2.0049	1.8686
O3	2.1905	1.3848		2.3784	3.1932	0.9643
H4	1.0900	2.0663	2.3784		1.8932	3.3155
H5	1.0837	2.0049	3.1932	1.8932		3.8592
H6	2.9664	1.8686	0.9643	3.3155	3.8592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.209	N2	C1	H4	122.156
N2	C1	H5	116.706	N2	O3	H6	103.957
H4	C1	H5	121.138

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: M06-2X/6-31+G**

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	-0.232
2	N	-0.130
3	O	-0.353
4	H	0.166
5	H	0.171
6	H	0.378

	x	y	z	Total
	0.256	-0.079	0.000	0.268
CHELPG
AIM
ESP

	x	y	z
x	5.492	-0.153	0.000
y	-0.153	3.413	0.000
z	0.000	0.000	2.400

<r²>	40.504
(<r²>)^1/2	6.364

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)