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	hartrees
Energy at 0K	-169.766962
Energy at 298.15K	-169.770920
HF Energy	-169.766962
Nuclear repulsion energy	70.329455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3762	3762	40.94
2	A'	3457	3457	0.97
3	A'	2951	2951	89.19
4	A'	1732	1732	171.70
5	A'	1406	1406	12.32
6	A'	1312	1312	149.69
7	A'	1178	1178	57.95
8	A'	1042	1042	207.82
9	A'	605	605	1.33
10	A"	1002	1002	4.90
11	A"	808	808	63.09
12	A"	399	399	61.98

Atom	x (Å)	y (Å)
C1	0.000	0.380
O2	-1.009	-0.538
N3	1.207	-0.019
H4	-0.350	1.428
H5	-1.853	-0.062
H6	1.828	0.794

	C1	O2	N3	H4	H5	H6
C1		1.3639	1.2707	1.1055	1.9049	1.8741
O2	1.3639		2.2753	2.0739	0.9689	3.1337
N3	1.2707	2.2753		2.1257	3.0597	1.0231
H4	1.1055	2.0739	2.1257		2.1168	2.2685
H5	1.9049	0.9689	3.0597	2.1168		3.7789
H6	1.8741	3.1337	1.0231	2.2685	3.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.296	C1	N3	H6	109.096
O2	C1	N3	119.408	O2	C1	H4	113.832
N3	C1	H4	126.760

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B97D3/6-31G**

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	0.278
2	O	-0.433
3	N	-0.479
4	H	0.079
5	H	0.319
6	H	0.235

	x	y	z	Total
	-2.043	3.019	0.000	3.645
CHELPG
AIM
ESP

	x	y	z
x	4.999	0.050	0.000
y	0.050	3.001	0.000
z	0.000	0.000	1.511

<r²>	41.417
(<r²>)^1/2	6.436