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	hartrees
Energy at 0K	-169.821182
Energy at 298.15K	-169.825202
HF Energy	-169.821182
Nuclear repulsion energy	71.074863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3933	3933	79.78
2	A'	3584	3584	6.55
3	A'	3050	3050	57.91
4	A'	1804	1804	200.94
5	A'	1434	1434	21.41
6	A'	1349	1349	166.87
7	A'	1215	1215	38.24
8	A'	1087	1087	199.80
9	A'	625	625	1.25
10	A"	1054	1054	6.06
11	A"	844	844	56.58
12	A"	410	410	65.80

Atom	x (Å)	y (Å)
C1	0.000	0.372
O2	-1.001	-0.526
N3	1.195	-0.021
H4	-0.334	1.418
H5	-1.842	-0.068
H6	1.822	0.778

	C1	O2	N3	H4	H5	H6
C1		1.3448	1.2578	1.0983	1.8940	1.8669
O2	1.3448		2.2536	2.0551	0.9576	3.1100
N3	1.2578	2.2536		2.0998	3.0376	1.0155
H4	1.0983	2.0551	2.0998		2.1169	2.2497
H5	1.8940	0.9576	3.0376	2.1169		3.7608
H6	1.8669	3.1100	1.0155	2.2497	3.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.543	C1	N3	H6	109.961
O2	C1	N3	119.934	O2	C1	H4	114.150
N3	C1	H4	125.916

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: wB97X-D/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	0.113
2	O	-0.362
3	N	-0.444
4	H	0.113
5	H	0.327
6	H	0.253

	x	y	z	Total
	-2.115	3.037	0.000	3.701
CHELPG
AIM
ESP

	x	y	z
x	4.798	0.050	0.000
y	0.050	2.976	0.000
z	0.000	0.000	1.880

<r²>	40.786
(<r²>)^1/2	6.386