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	hartrees
Energy at 0K	-169.768481
Energy at 298.15K	-169.772396
HF Energy	-169.768481
Nuclear repulsion energy	69.738179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3814	3814	47.64
2	A'	3575	3575	10.16
3	A'	3078	3078	70.11
4	A'	1755	1755	192.80
5	A'	1419	1419	5.30
6	A'	1269	1269	159.51
7	A'	1171	1171	31.60
8	A'	1004	1004	317.00
9	A'	606	606	3.74
10	A"	1056	1056	2.04
11	A"	829	829	110.39
12	A"	354	354	116.26

Atom	x (Å)	y (Å)
C1	0.000	0.392
O2	-1.017	-0.541
N3	1.212	-0.008
H4	-0.346	1.435
H5	-1.903	-0.141
H6	1.905	0.744

	C1	O2	N3	H4	H5	H6
C1		1.3805	1.2762	1.0992	1.9763	1.9371
O2	1.3805		2.2924	2.0875	0.9721	3.1925
N3	1.2762	2.2924		2.1235	3.1181	1.0227
H4	1.0992	2.0875	2.1235		2.2157	2.3541
H5	1.9763	0.9721	3.1181	2.2157		3.9095
H6	1.9371	3.1925	1.0227	2.3541	3.9095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	113.147	C1	N3	H6	114.386
O2	C1	N3	119.227	O2	C1	H4	114.188
N3	C1	H4	126.585

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: wB97X-D/LANL2DZ

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	-0.075
2	O	-0.435
3	N	-0.306
4	H	0.188
5	H	0.376
6	H	0.252

	x	y	z	Total
	-2.094	4.168	0.000	4.665
CHELPG
AIM
ESP

	x	y	z
x	5.050	0.036	0.000
y	0.036	2.684	0.000
z	0.000	0.000	1.386

<r²>	42.292
(<r²>)^1/2	6.503