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	hartrees
Energy at 0K	-169.855249
Energy at 298.15K	-169.859171
HF Energy	-169.855249
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3757	3618	48.65
2	A'	3232	3113	9.25
3	A'	3101	2987	10.47
4	A'	1708	1645	2.27
5	A'	1470	1416	19.97
6	A'	1372	1322	85.39
7	A'	1192	1148	11.03
8	A'	919	885	124.45
9	A'	522	503	6.32
10	A"	951	916	38.41
11	A"	802	773	9.68
12	A"	445	428	151.65

Atom	x (Å)	y (Å)
C1	1.140	-0.028
N2	0.000	0.538
O3	-1.034	-0.407
H4	1.264	-1.111
H5	2.002	0.628
H6	-1.829	0.143

	C1	N2	O3	H4	H5	H6
C1		1.2726	2.2070	1.0897	1.0839	2.9733
N2	1.2726		1.4016	2.0778	2.0043	1.8711
O3	2.2070	1.4016		2.4040	3.2085	0.9661
H4	1.0897	2.0778	2.4040		1.8890	3.3373
H5	1.0839	2.0043	3.2085	1.8890		3.8617
H6	2.9733	1.8711	0.9661	3.3373	3.8617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.143	N2	C1	H4	122.995
N2	C1	H5	116.310	N2	O3	H6	102.868
H4	C1	H5	120.696

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: TPSSh/6-311G*

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	-0.247
2	N	-0.099
3	O	-0.480
4	H	0.199
5	H	0.218
6	H	0.408

	x	y	z	Total
	0.117	0.030	0.000	0.121
CHELPG
AIM
ESP

	x	y	z
x	5.389	-0.175	0.000
y	-0.175	3.011	0.000
z	0.000	0.000	1.725

<r²>	40.654
(<r²>)^1/2	6.376

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: TPSSh/6-311G*

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)