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	hartrees
Energy at 0K	-169.880597
Energy at 298.15K	-169.884583
HF Energy	-169.880597
Nuclear repulsion energy	70.610183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3840	3696	76.61
2	A'	3538	3406	10.43
3	A'	3043	2930	62.81
4	A'	1760	1695	236.71
5	A'	1429	1376	9.43
6	A'	1322	1273	169.75
7	A'	1183	1138	48.24
8	A'	1057	1017	224.74
9	A'	615	592	1.67
10	A"	1033	994	2.90
11	A"	825	794	80.36
12	A"	403	388	77.60

Atom	x (Å)	y (Å)
C1	0.000	0.377
O2	-1.006	-0.535
N3	1.202	-0.015
H4	-0.340	1.422
H5	-1.861	-0.085
H6	1.834	0.783

	C1	O2	N3	H4	H5	H6
C1		1.3573	1.2639	1.0986	1.9169	1.8790
O2	1.3573		2.2676	2.0664	0.9659	3.1310
N3	1.2639	2.2676		2.1072	3.0630	1.0188
H4	1.0986	2.0664	2.1072		2.1405	2.2661
H5	1.9169	0.9659	3.0630	2.1405		3.7956
H6	1.8790	3.1310	1.0188	2.2661	3.7956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	110.063	C1	N3	H6	110.336
O2	C1	N3	119.748	O2	C1	H4	114.166
N3	C1	H4	126.086

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B3LYPultrafine/6-31+G**

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	0.141
2	O	-0.395
3	N	-0.463
4	H	0.115
5	H	0.345
6	H	0.257

	x	y	z	Total
	-2.114	3.469	0.000	4.062
CHELPG
AIM
ESP

	x	y	z
x	5.478	-0.106	0.000
y	-0.106	3.531	0.000
z	0.000	0.000	2.479

<r²>	41.772
(<r²>)^1/2	6.463