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	hartrees
Energy at 0K	-169.897034
Energy at 298.15K	-169.900995
HF Energy	-169.897034
Nuclear repulsion energy	70.235164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3698	3677	55.81
2	A'	3418	3399	9.32
3	A'	2938	2922	62.51
4	A'	1676	1666	195.99
5	A'	1364	1357	9.67
6	A'	1277	1270	152.45
7	A'	1145	1139	44.49
8	A'	999	994	223.29
9	A'	598	595	1.65
10	A"	986	980	2.01
11	A"	795	791	67.52
12	A"	418	416	58.15

Atom	x (Å)	y (Å)
C1	0.000	0.382
O2	-1.008	-0.545
N3	1.205	-0.009
H4	-0.352	1.426
H5	-1.865	-0.086
H6	1.846	0.789

	C1	O2	N3	H4	H5	H6
C1		1.3697	1.2672	1.1014	1.9233	1.8907
O2	1.3697		2.2778	2.0768	0.9720	3.1511
N3	1.2672	2.2778		2.1176	3.0717	1.0235
H4	1.1014	2.0768	2.1176		2.1389	2.2890
H5	1.9233	0.9720	3.0717	2.1389		3.8136
H6	1.8907	3.1511	1.0235	2.2890	3.8136

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.251	C1	N3	H6	110.806
O2	C1	N3	119.440	O2	C1	H4	113.933
N3	C1	H4	126.627

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: BLYP/6-311+G(3df,2p)

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	0.549
2	O	-0.446
3	N	-0.707
4	H	0.148
5	H	0.252
6	H	0.203

	x	y	z	Total
	-2.003	3.046	0.000	3.646
CHELPG
AIM
ESP

	x	y	z
x	5.971	-0.015	0.000
y	-0.015	4.068	0.000
z	0.000	0.000	3.024

<r²>	42.181
(<r²>)^1/2	6.495