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	hartrees
Energy at 0K	-33.317393
Energy at 298.15K	-33.321364
HF Energy	-33.317393
Nuclear repulsion energy	39.996739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3884	3884	50.64
2	A'	3553	3553	4.12
3	A'	3031	3031	93.62
4	A'	1758	1758	221.31
5	A'	1439	1439	17.25
6	A'	1344	1344	171.32
7	A'	1208	1208	75.08
8	A'	1074	1074	213.13
9	A'	615	615	0.97
10	A"	1041	1041	4.17
11	A"	834	834	77.15
12	A"	378	378	82.24

Atom	x (Å)	y (Å)
C1	0.000	0.376
O2	-1.008	-0.540
N3	1.206	-0.012
H4	-0.345	1.422
H5	-1.855	-0.079
H6	1.821	0.802

	C1	O2	N3	H4	H5	H6
C1		1.3614	1.2666	1.1020	1.9097	1.8702
O2	1.3614		2.2753	2.0708	0.9643	3.1305
N3	1.2666	2.2753		2.1126	3.0611	1.0202
H4	1.1020	2.0708	2.1126		2.1290	2.2535
H5	1.9097	0.9643	3.0611	2.1290		3.7798
H6	1.8702	3.1305	1.0202	2.2535	3.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.202	C1	N3	H6	109.257
O2	C1	N3	119.903	O2	C1	H4	114.001
N3	C1	H4	126.096

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: wB97X-D/CEP-121G*

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	-0.093
2	O	-0.424
3	N	-0.321
4	H	0.129
5	H	0.423
6	H	0.285

	x	y	z	Total
	-2.195	3.533	0.000	4.159
CHELPG
AIM
ESP

	x	y	z
x	4.994	-0.048	0.000
y	-0.048	3.106	0.000
z	0.000	0.000	1.991

<r²>	35.690
(<r²>)^1/2	5.974