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	hartrees
Energy at 0K	-33.308504
Energy at 298.15K	-33.312451
HF Energy	-33.308504
Nuclear repulsion energy	39.848720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3914	3914	56.14
2	A'	3586	3586	3.92
3	A'	3066	3066	98.55
4	A'	1779	1779	242.56
5	A'	1439	1439	19.69
6	A'	1344	1344	167.11
7	A'	1206	1206	78.43
8	A'	1082	1082	203.54
9	A'	610	610	1.12
10	A"	1034	1034	1.46
11	A"	829	829	79.33
12	A"	368	368	79.63

Atom	x (Å)	y (Å)
C1	0.000	0.377
O2	-1.014	-0.533
N3	1.212	-0.024
H4	-0.338	1.431
H5	-1.860	-0.063
H6	1.827	0.794

	C1	O2	N3	H4	H5	H6
C1		1.3627	1.2766	1.1068	1.9113	1.8741
O2	1.3627		2.2836	2.0774	0.9673	3.1359
N3	1.2766	2.2836		2.1256	3.0721	1.0235
H4	1.1068	2.0774	2.1256		2.1333	2.2566
H5	1.9113	0.9673	3.0721	2.1333		3.7854
H6	1.8741	3.1359	1.0235	2.2566	3.7854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.050	C1	N3	H6	108.640
O2	C1	N3	119.788	O2	C1	H4	114.145
N3	C1	H4	126.068

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: wB97X-D/CEP-31G*

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	-0.399
2	O	-0.316
3	N	-0.103
4	H	0.175
5	H	0.394
6	H	0.249

	x	y	z	Total
	-2.257	3.632	0.000	4.276
CHELPG
AIM
ESP

	x	y	z
x	4.845	0.011	0.000
y	0.011	2.870	0.000
z	0.000	0.000	1.802

<r²>	35.812
(<r²>)^1/2	5.984