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	hartrees
Energy at 0K	-169.877461
Energy at 298.15K	-169.881463
HF Energy	-169.877461
Nuclear repulsion energy	70.838541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3839	3705	62.46
2	A'	3525	3402	4.77
3	A'	3019	2913	62.56
4	A'	1776	1714	185.12
5	A'	1425	1376	14.76
6	A'	1335	1288	163.89
7	A'	1198	1156	41.69
8	A'	1063	1026	204.87
9	A'	618	597	1.35
10	A"	1043	1007	5.18
11	A"	832	803	55.26
12	A"	406	392	60.81

Atom	x (Å)	y (Å)
C1	0.000	0.374
O2	-1.003	-0.533
N3	1.198	-0.016
H4	-0.344	1.418
H5	-1.848	-0.072
H6	1.828	0.783

	C1	O2	N3	H4	H5	H6
C1		1.3521	1.2599	1.0990	1.9006	1.8734
O2	1.3521		2.2611	2.0587	0.9622	3.1221
N3	1.2599	2.2611		2.1056	3.0463	1.0174
H4	1.0990	2.0587	2.1056		2.1163	2.2630
H5	1.9006	0.9622	3.0463	2.1163		3.7738
H6	1.8734	3.1221	1.0174	2.2630	3.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.262	C1	N3	H6	110.240
O2	C1	N3	119.873	O2	C1	H4	113.862
N3	C1	H4	126.264

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B3LYPultrafine/6-31G(2df,p)

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	0.108
2	O	-0.331
3	N	-0.401
4	H	0.088
5	H	0.305
6	H	0.230

	x	y	z	Total
	-2.044	2.922	0.000	3.566
CHELPG
AIM
ESP

	x	y	z
x	4.906	0.075	0.000
y	0.075	3.009	0.000
z	0.000	0.000	1.866

<r²>	41.056
(<r²>)^1/2	6.407