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	hartrees
Energy at 0K	-168.712839
Energy at 298.15K	-168.716737
HF Energy	-168.712839
Nuclear repulsion energy	69.289392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3391	3360	8.08
2	A'	3296	3266	1.37
3	A'	2896	2870	88.77
4	A'	1710	1695	107.35
5	A'	1376	1363	5.17
6	A'	1258	1247	114.03
7	A'	1137	1126	48.12
8	A'	963	954	293.15
9	A'	598	592	2.64
10	A"	1022	1012	1.08
11	A"	799	791	83.22
12	A"	362	359	64.49

Atom	x (Å)	y (Å)
C1	0.000	0.397
O2	-1.013	-0.564
N3	1.212	-0.001
H4	-0.376	1.441
H5	-1.897	-0.087
H6	1.893	0.784

	C1	O2	N3	H4	H5	H6
C1		1.3962	1.2758	1.1092	1.9575	1.9323
O2	1.3962		2.2950	2.1032	1.0040	3.2036
N3	1.2758	2.2950		2.1449	3.1099	1.0399
H4	1.1092	2.1032	2.1449		2.1558	2.3619
H5	1.9575	1.0040	3.1099	2.1558		3.8887
H6	1.9323	3.2036	1.0399	2.3619	3.8887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.177	C1	N3	H6	112.721
O2	C1	N3	118.318	O2	C1	H4	113.680
N3	C1	H4	128.002

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: PBEPBEultrafine/3-21G

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	0.242
2	O	-0.485
3	N	-0.537
4	H	0.165
5	H	0.352
6	H	0.262

	x	y	z	Total
	-1.846	3.233	0.000	3.722
CHELPG
AIM
ESP

	x	y	z
x	4.935	0.103	0.000
y	0.103	2.627	0.000
z	0.000	0.000	0.974

<r²>	42.276
(<r²>)^1/2	6.502