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	hartrees
Energy at 0K	-169.708874
Energy at 298.15K	-169.712843
HF Energy	-169.708874
Nuclear repulsion energy	70.349190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3686	3648	28.83
2	A'	3433	3397	1.27
3	A'	2919	2889	96.45
4	A'	1720	1703	171.19
5	A'	1394	1380	12.15
6	A'	1307	1294	155.17
7	A'	1172	1160	60.87
8	A'	1033	1022	218.24
9	A'	605	599	1.44
10	A"	994	984	5.23
11	A"	807	798	75.62
12	A"	411	407	69.08

Atom	x (Å)	y (Å)
C1	0.000	0.379
O2	-1.007	-0.539
N3	1.205	-0.016
H4	-0.354	1.430
H5	-1.858	-0.069
H6	1.834	0.793

	C1	O2	N3	H4	H5	H6
C1		1.3628	1.2679	1.1092	1.9107	1.8800
O2	1.3628		2.2727	2.0749	0.9722	3.1378
N3	1.2679	2.2727		2.1266	3.0627	1.0252
H4	1.1092	2.0749	2.1266		2.1227	2.2788
H5	1.9107	0.9722	3.0627	2.1227		3.7906
H6	1.8800	3.1378	1.0252	2.2788	3.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.669	C1	N3	H6	109.686
O2	C1	N3	119.473	O2	C1	H4	113.743
N3	C1	H4	126.784

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: PBEPBEultrafine/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	0.063
2	O	-0.421
3	N	-0.460
4	H	0.155
5	H	0.386
6	H	0.277

	x	y	z	Total
	-2.078	3.171	0.000	3.791
CHELPG
AIM
ESP

	x	y	z
x	5.131	-0.002	0.000
y	-0.002	3.120	0.000
z	0.000	0.000	1.758

<r²>	41.603
(<r²>)^1/2	6.450