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	hartrees
Energy at 0K	-169.855260
Energy at 298.15K	-169.859219
HF Energy	-169.855260
Nuclear repulsion energy	69.856119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3671	3664	54.01
2	A'	3400	3393	7.99
3	A'	2951	2945	60.61
4	A'	1667	1664	194.74
5	A'	1353	1351	12.09
6	A'	1276	1274	142.97
7	A'	1147	1145	53.63
8	A'	1005	1003	206.30
9	A'	588	587	1.40
10	A"	974	972	1.65
11	A"	795	794	69.26
12	A"	420	420	55.67

Atom	x (Å)	y (Å)
C1	0.000	0.386
O2	-1.014	-0.544
N3	1.212	-0.016
H4	-0.349	1.440
H5	-1.872	-0.079
H6	1.851	0.790

	C1	O2	N3	H4	H5	H6
C1		1.3762	1.2768	1.1095	1.9285	1.8947
O2	1.3762		2.2874	2.0923	0.9758	3.1606
N3	1.2768	2.2874		2.1341	3.0839	1.0290
H4	1.1095	2.0923	2.1341		2.1504	2.2940
H5	1.9285	0.9758	3.0839	2.1504		3.8229
H6	1.8947	3.1606	1.0290	2.2940	3.8229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.969	C1	N3	H6	110.054
O2	C1	N3	119.084	O2	C1	H4	114.219
N3	C1	H4	126.697

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: BLYP/aug-cc-pVDZ

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	0.913
2	O	-0.328
3	N	-0.213
4	H	-0.437
5	H	0.127
6	H	-0.062

	x	y	z	Total
	-1.994	3.023	0.000	3.622
CHELPG
AIM
ESP

	x	y	z
x	6.160	-0.020	0.000
y	-0.020	4.233	0.000
z	0.000	0.000	3.114

<r²>	42.528
(<r²>)^1/2	6.521