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	hartrees
Energy at 0K	-169.851030
Energy at 298.15K	-169.855007
HF Energy	-169.851030
Nuclear repulsion energy	70.597875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3757	3757	56.68
2	A'	3459	3459	7.03
3	A'	2950	2950	75.66
4	A'	1705	1705	187.78
5	A'	1378	1378	12.00
6	A'	1297	1297	151.94
7	A'	1164	1164	45.42
8	A'	1022	1022	215.94
9	A'	605	605	1.43
10	A"	999	999	2.69
11	A"	804	804	63.62
12	A"	417	417	57.61

Atom	x (Å)	y (Å)
C1	0.000	0.378
O2	-1.005	-0.540
N3	1.201	-0.011
H4	-0.350	1.421
H5	-1.851	-0.078
H6	1.829	0.790

	C1	O2	N3	H4	H5	H6
C1		1.3608	1.2624	1.1004	1.9059	1.8754
O2	1.3608		2.2685	2.0672	0.9645	3.1309
N3	1.2624	2.2685		2.1111	3.0527	1.0180
H4	1.1004	2.0672	2.1111		2.1203	2.2692
H5	1.9059	0.9645	3.0527	2.1203		3.7812
H6	1.8754	3.1309	1.0180	2.2692	3.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.907	C1	N3	H6	110.189
O2	C1	N3	119.667	O2	C1	H4	113.845
N3	C1	H4	126.488

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B97D3/cc-pVQZ

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	0.215
2	O	-0.275
3	N	-0.319
4	H	-0.003
5	H	0.224
6	H	0.158

	x	y	z	Total
	-2.030	2.950	0.000	3.582
CHELPG
AIM
ESP

	x	y	z
x	5.574	-0.008	0.000
y	-0.008	3.778	0.000
z	0.000	0.000	2.623

<r²>	41.540
(<r²>)^1/2	6.445