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	hartrees
Energy at 0K	-169.734745
Energy at 298.15K	-169.738724
HF Energy	-169.734745
Nuclear repulsion energy	70.170350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3784	3784	47.35
2	A'	3562	3562	5.51
3	A'	3086	3086	62.74
4	A'	1802	1802	171.07
5	A'	1453	1453	10.29
6	A'	1301	1301	166.69
7	A'	1195	1195	35.33
8	A'	1023	1023	288.80
9	A'	627	627	2.58
10	A"	1077	1077	5.64
11	A"	843	843	92.21
12	A"	382	382	111.89

Atom	x (Å)	y (Å)
C1	0.000	0.388
O2	-1.010	-0.541
N3	1.203	-0.006
H4	-0.345	1.428
H5	-1.890	-0.133
H6	1.889	0.750

	C1	O2	N3	H4	H5	H6
C1		1.3722	1.2663	1.0954	1.9604	1.9228
O2	1.3722		2.2768	2.0783	0.9698	3.1727
N3	1.2663	2.2768		2.1101	3.0957	1.0201
H4	1.0954	2.0783	2.1101		2.1966	2.3339
H5	1.9604	0.9698	3.0957	2.1966		3.8801
H6	1.9228	3.1727	1.0201	2.3339	3.8801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	112.520	C1	N3	H6	114.058
O2	C1	N3	119.237	O2	C1	H4	114.287
N3	C1	H4	126.476

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: wB97X-D/6-31G

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	0.192
2	O	-0.551
3	N	-0.466
4	H	0.152
5	H	0.391
6	H	0.283

	x	y	z	Total
	-1.982	3.868	0.000	4.346
CHELPG
AIM
ESP

	x	y	z
x	4.923	0.020	0.000
y	0.020	2.706	0.000
z	0.000	0.000	1.185

<r²>	41.789
(<r²>)^1/2	6.464