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	hartrees
Energy at 0K	-168.808625
Energy at 298.15K	-168.812518
HF Energy	-168.808625
Nuclear repulsion energy	69.373995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3435	3435	10.49
2	A'	3309	3309	1.73
3	A'	2910	2910	97.01
4	A'	1712	1712	105.93
5	A'	1387	1387	5.64
6	A'	1271	1271	113.51
7	A'	1142	1142	65.06
8	A'	964	964	282.35
9	A'	601	601	2.25
10	A"	1025	1025	1.66
11	A"	802	802	80.88
12	A"	356	356	68.74

Atom	x (Å)	y (Å)
C1	0.000	0.396
O2	-1.012	-0.568
N3	1.212	0.005
H4	-0.379	1.434
H5	-1.894	-0.101
H6	1.885	0.792

	C1	O2	N3	H4	H5	H6
C1		1.3976	1.2732	1.1046	1.9578	1.9257
O2	1.3976		2.2961	2.0996	0.9976	3.1998
N3	1.2732	2.2961		2.1378	3.1071	1.0354
H4	1.1046	2.0996	2.1378		2.1569	2.3524
H5	1.9578	0.9976	3.1071	2.1569		3.8823
H6	1.9257	3.1998	1.0354	2.3524	3.8823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.498	C1	N3	H6	112.648
O2	C1	N3	118.496	O2	C1	H4	113.577
N3	C1	H4	127.927

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B97D3/3-21G*

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	0.276
2	O	-0.507
3	N	-0.551
4	H	0.163
5	H	0.356
6	H	0.263

	x	y	z	Total
	-1.857	3.297	0.000	3.784
CHELPG
AIM
ESP

	x	y	z
x	4.860	0.111	0.000
y	0.111	2.605	0.000
z	0.000	0.000	0.969

<r²>	42.203
(<r²>)^1/2	6.496