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	hartrees
Energy at 0K	-169.809491
Energy at 298.15K	-169.813506
HF Energy	-169.611069
Nuclear repulsion energy	70.915468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3870	3870	86.35
2	A'	3556	3556	13.71
3	A'	3068	3068	46.94
4	A'	1740	1740	208.67
5	A'	1419	1419	11.27
6	A'	1329	1329	170.97
7	A'	1189	1189	38.75
8	A'	1056	1056	215.92
9	A'	619	619	1.46
10	A"	1038	1038	2.14
11	A"	832	832	65.72
12	A"	419	419	66.74

Atom	x (Å)	y (Å)
C1	0.000	0.376
O2	-1.002	-0.531
N3	1.197	-0.017
H4	-0.335	1.415
H5	-1.849	-0.078
H6	1.828	0.777

	C1	O2	N3	H4	H5	H6
C1		1.3517	1.2593	1.0922	1.9041	1.8717
O2	1.3517		2.2584	2.0577	0.9603	3.1182
N3	1.2593	2.2584		2.0966	3.0464	1.0142
H4	1.0922	2.0577	2.0966		2.1270	2.2553
H5	1.9041	0.9603	3.0464	2.1270		3.7755
H6	1.8717	3.1182	1.0142	2.2553	3.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.731	C1	N3	H6	110.360
O2	C1	N3	119.711	O2	C1	H4	114.278
N3	C1	H4	126.012

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B2PLYP/6-311+G(3df,2p)

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	0.693
2	O	-0.491
3	N	-0.785
4	H	0.150
5	H	0.241
6	H	0.192

	x	y	z	Total
	-2.066	3.184	0.000	3.795
CHELPG
AIM
ESP

	x	y	z
x	5.542	-0.015	0.000
y	-0.015	3.785	0.000
z	0.000	0.000	2.885

<r²>	41.494
(<r²>)^1/2	6.442