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	hartrees
Energy at 0K	-169.913513
Energy at 298.15K	-169.917509
HF Energy	-169.913513
Nuclear repulsion energy	70.679495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3815	3815	59.06
2	A'	3500	3500	3.08
3	A'	3013	3013	76.71
4	A'	1751	1751	185.08
5	A'	1425	1425	13.46
6	A'	1332	1332	155.70
7	A'	1188	1188	54.57
8	A'	1055	1055	216.98
9	A'	610	610	0.99
10	A"	1038	1038	3.63
11	A"	828	828	64.79
12	A"	405	405	65.53

Atom	x (Å)	y (Å)
C1	0.000	0.378
O2	-1.003	-0.538
N3	1.200	-0.015
H4	-0.348	1.419
H5	-1.847	-0.072
H6	1.822	0.792

	C1	O2	N3	H4	H5	H6
C1		1.3583	1.2624	1.0981	1.9013	1.8688
O2	1.3583		2.2646	2.0641	0.9643	3.1231
N3	1.2624	2.2646		2.1098	3.0479	1.0190
H4	1.0981	2.0641	2.1098		2.1147	2.2588
H5	1.9013	0.9643	3.0479	2.1147		3.7700
H6	1.8688	3.1231	1.0190	2.2588	3.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.701	C1	N3	H6	109.538
O2	C1	N3	119.515	O2	C1	H4	113.919
N3	C1	H4	126.566

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: TPSSh/6-311G**

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	0.165
2	O	-0.292
3	N	-0.367
4	H	0.072
5	H	0.248
6	H	0.174

	x	y	z	Total
	-2.057	3.157	0.000	3.768
CHELPG
AIM
ESP

	x	y	z
x	5.010	0.006	0.000
y	0.006	3.057	0.000
z	0.000	0.000	1.819

<r²>	41.254
(<r²>)^1/2	6.423