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	hartrees
Energy at 0K	-169.853261
Energy at 298.15K	-169.857243
HF Energy	-169.853261
Nuclear repulsion energy	70.585476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3757	3757	59.56
2	A'	3462	3462	9.10
3	A'	2957	2957	69.93
4	A'	1699	1699	204.84
5	A'	1376	1376	11.39
6	A'	1295	1295	154.80
7	A'	1163	1163	42.17
8	A'	1020	1020	220.15
9	A'	605	605	1.45
10	A"	997	997	1.82
11	A"	804	804	65.81
12	A"	422	422	57.55

Atom	x (Å)	y (Å)
C1	0.000	0.378
O2	-1.005	-0.539
N3	1.201	-0.012
H4	-0.348	1.422
H5	-1.852	-0.079
H6	1.833	0.786

	C1	O2	N3	H4	H5	H6
C1		1.3609	1.2628	1.1000	1.9079	1.8776
O2	1.3609		2.2682	2.0684	0.9647	3.1321
N3	1.2628	2.2682		2.1107	3.0542	1.0180
H4	1.1000	2.0684	2.1107		2.1247	2.2714
H5	1.9079	0.9647	3.0542	2.1247		3.7853
H6	1.8776	3.1321	1.0180	2.2714	3.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.057	C1	N3	H6	110.354
O2	C1	N3	119.597	O2	C1	H4	113.960
N3	C1	H4	126.443

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B97D3/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	-0.016
2	O	-0.456
3	N	-0.494
4	H	0.440
5	H	0.291
6	H	0.236

	x	y	z	Total
	-2.030	2.960	0.000	3.589
CHELPG
AIM
ESP

	x	y	z
x	5.936	-0.012	-0.000
y	-0.012	4.152	0.000
z	-0.000	0.000	3.135

<r²>	41.689
(<r²>)^1/2	6.457