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	hartrees
Energy at 0K	-169.950934
Energy at 298.15K	-169.954944
HF Energy	-169.950934
Nuclear repulsion energy	70.799039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3802	3802	69.07
2	A'	3503	3503	9.34
3	A'	3027	3027	56.58
4	A'	1735	1735	212.53
5	A'	1408	1408	13.09
6	A'	1321	1321	162.53
7	A'	1180	1180	37.85
8	A'	1047	1047	220.80
9	A'	609	609	1.52
10	A"	1030	1030	1.84
11	A"	825	825	67.20
12	A"	427	427	60.53

Atom	x (Å)	y (Å)
C1	0.000	0.378
O2	-1.002	-0.535
N3	1.197	-0.014
H4	-0.342	1.417
H5	-1.851	-0.080
H6	1.829	0.782

	C1	O2	N3	H4	H5	H6
C1		1.3556	1.2597	1.0947	1.9069	1.8735
O2	1.3556		2.2600	2.0614	0.9638	3.1228
N3	1.2597	2.2600		2.1022	3.0491	1.0167
H4	1.0947	2.0614	2.1022		2.1260	2.2625
H5	1.9069	0.9638	3.0491	2.1260		3.7801
H6	1.8735	3.1228	1.0167	2.2625	3.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.445	C1	N3	H6	110.322
O2	C1	N3	119.531	O2	C1	H4	114.138
N3	C1	H4	126.331

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: TPSSh/aug-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	-0.258
2	O	-0.405
3	N	-0.494
4	H	0.610
5	H	0.288
6	H	0.259

	x	y	z	Total
	-2.063	3.038	0.000	3.672
CHELPG
AIM
ESP

	x	y	z
x	5.748	0.007	0.000
y	0.007	3.991	0.000
z	0.000	0.000	3.035

<r²>	41.455
(<r²>)^1/2	6.439