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	hartrees
Energy at 0K	-169.777342
Energy at 298.15K	-169.781320
HF Energy	-169.777342
Nuclear repulsion energy	70.483002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3763	3763	47.94
2	A'	3458	3458	2.56
3	A'	2947	2947	78.92
4	A'	1724	1724	168.94
5	A'	1388	1388	13.00
6	A'	1309	1309	146.90
7	A'	1176	1176	44.46
8	A'	1037	1037	200.47
9	A'	603	603	1.42
10	A"	1004	1004	4.44
11	A"	810	810	56.37
12	A"	417	417	54.27

Atom	x (Å)	y (Å)
C1	0.000	0.378
O2	-1.007	-0.536
N3	1.204	-0.019
H4	-0.351	1.426
H5	-1.848	-0.061
H6	1.829	0.788

	C1	O2	N3	H4	H5	H6
C1		1.3603	1.2679	1.1046	1.8997	1.8747
O2	1.3603		2.2707	2.0687	0.9659	3.1304
N3	1.2679	2.2707		2.1227	3.0524	1.0213
H4	1.1046	2.0687	2.1227		2.1101	2.2716
H5	1.8997	0.9659	3.0524	2.1101		3.7743
H6	1.8747	3.1304	1.0213	2.2716	3.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.305	C1	N3	H6	109.482
O2	C1	N3	119.487	O2	C1	H4	113.716
N3	C1	H4	126.798

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B97D3/6-31G(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	0.116
2	O	-0.329
3	N	-0.409
4	H	0.087
5	H	0.304
6	H	0.231

	x	y	z	Total
	-2.027	2.819	0.000	3.472
CHELPG
AIM
ESP

	x	y	z
x	5.036	0.076	0.000
y	0.076	3.131	0.000
z	0.000	0.000	1.912

<r²>	41.277
(<r²>)^1/2	6.425