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	hartrees
Energy at 0K	-169.768849
Energy at 298.15K	-169.772766
HF Energy	-169.768849
Nuclear repulsion energy	69.733749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3813	3813	47.69
2	A'	3573	3573	10.19
3	A'	3077	3077	70.25
4	A'	1755	1755	193.67
5	A'	1418	1418	5.28
6	A'	1270	1270	160.17
7	A'	1171	1171	31.61
8	A'	1005	1005	316.25
9	A'	606	606	3.70
10	A"	1056	1056	2.12
11	A"	829	829	110.02
12	A"	355	355	115.94

Atom	x (Å)	y (Å)
C1	0.000	0.391
O2	-1.018	-0.541
N3	1.212	-0.009
H4	-0.345	1.435
H5	-1.903	-0.140
H6	1.905	0.744

	C1	O2	N3	H4	H5	H6
C1		1.3803	1.2765	1.0994	1.9762	1.9371
O2	1.3803		2.2926	2.0875	0.9721	3.1926
N3	1.2765	2.2926		2.1238	3.1184	1.0228
H4	1.0994	2.0875	2.1238		2.2157	2.3539
H5	1.9762	0.9721	3.1184	2.2157		3.9095
H6	1.9371	3.1926	1.0228	2.3539	3.9095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	113.151	C1	N3	H6	114.353
O2	C1	N3	119.238	O2	C1	H4	114.187
N3	C1	H4	126.574

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: wB97X-D/SDD

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	-0.077
2	O	-0.434
3	N	-0.303
4	H	0.186
5	H	0.376
6	H	0.252

	x	y	z	Total
	-2.098	4.167	0.000	4.665
CHELPG
AIM
ESP

	x	y	z
x	5.053	0.035	0.000
y	0.035	2.686	0.000
z	0.000	0.000	1.405

<r²>	42.298
(<r²>)^1/2	6.504