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	hartrees
Energy at 0K	-167.533645
Energy at 298.15K	-167.537413
HF Energy	-167.533645
Nuclear repulsion energy	67.620624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3597	3597	14.34
2	A'	3360	3360	17.12
3	A'	3155	3155	7.83
4	A'	1735	1735	57.88
5	A'	1484	1484	23.65
6	A'	1347	1347	30.92
7	A'	1268	1268	73.12
8	A'	1093	1093	91.05
9	A'	547	547	1.39
10	A"	994	994	3.40
11	A"	760	760	35.70
12	A"	419	419	24.86

Atom	x (Å)	y (Å)
C1	0.000	0.409
O2	-1.043	-0.559
N3	1.247	-0.050
H4	-0.345	1.479
H5	-1.892	0.033
H6	1.846	0.852

	C1	O2	N3	H4	H5	H6
C1		1.4227	1.3295	1.1236	1.9289	1.8981
O2	1.4227		2.3458	2.1533	1.0348	3.2146
N3	1.3295	2.3458		2.2078	3.1403	1.0828
H4	1.1236	2.1533	2.2078		2.1170	2.2788
H5	1.9289	1.0348	3.1403	2.1170		3.8263
H6	1.8981	3.2146	1.0828	2.2788	3.8263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	102.264	C1	N3	H6	103.311
O2	C1	N3	116.896	O2	C1	H4	114.977
N3	C1	H4	128.127

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B97D3/STO-3G

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	0.078
2	O	-0.186
3	N	-0.296
4	H	0.059
5	H	0.201
6	H	0.144

	x	y	z	Total
	-1.973	2.670	0.000	3.320
CHELPG
AIM
ESP

	x	y	z
x	3.740	0.228	0.000
y	0.228	1.627	0.000
z	0.000	0.000	0.444

<r²>	42.871
(<r²>)^1/2	6.548