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	hartrees
Energy at 0K	-169.750629
Energy at 298.15K	-169.754644
HF Energy	-169.750629
Nuclear repulsion energy	71.153790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3901	3901	85.31
2	A'	3572	3572	12.25
3	A'	3045	3045	57.04
4	A'	1785	1785	216.90
5	A'	1422	1422	16.29
6	A'	1336	1336	175.65
7	A'	1197	1197	29.96
8	A'	1069	1069	215.00
9	A'	623	623	1.54
10	A"	1047	1047	2.72
11	A"	834	834	65.09
12	A"	414	414	65.48

Atom	x (Å)	y (Å)
C1	0.000	0.371
O2	-0.999	-0.529
N3	1.193	-0.016
H4	-0.336	1.415
H5	-1.843	-0.074
H6	1.821	0.779

	C1	O2	N3	H4	H5	H6
C1		1.3449	1.2540	1.0967	1.8957	1.8666
O2	1.3449		2.2510	2.0541	0.9585	3.1092
N3	1.2540	2.2510		2.0942	3.0359	1.0137
H4	1.0967	2.0541	2.0942		2.1182	2.2495
H5	1.8957	0.9585	3.0359	2.1182		3.7621
H6	1.8666	3.1092	1.0137	2.2495	3.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.630	C1	N3	H6	110.348
O2	C1	N3	119.987	O2	C1	H4	114.171
N3	C1	H4	125.843

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: PBE1PBE/Def2TZVPP

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	0.085
2	O	-0.223
3	N	-0.280
4	H	0.052
5	H	0.205
6	H	0.160

	x	y	z	Total
	-2.105	3.109	0.000	3.754
CHELPG
AIM
ESP

	x	y	z
x	5.224	-0.020	0.000
y	-0.020	3.449	0.000
z	0.000	0.000	2.423

<r²>	41.040
(<r²>)^1/2	6.406