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	hartrees
Energy at 0K	-169.839145
Energy at 298.15K	-169.843170
HF Energy	-169.839145
Nuclear repulsion energy	70.801241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3911	3744	90.59
2	A'	3572	3420	12.57
3	A'	3068	2937	45.74
4	A'	1777	1701	234.78
5	A'	1417	1356	23.46
6	A'	1338	1281	164.54
7	A'	1204	1152	43.78
8	A'	1081	1034	196.71
9	A'	617	591	1.04
10	A"	1037	993	2.21
11	A"	838	802	67.76
12	A"	419	401	66.19

Atom	x (Å)	y (Å)
C1	0.000	0.375
O2	-1.004	-0.528
N3	1.198	-0.022
H4	-0.330	1.427
H5	-1.851	-0.074
H6	1.829	0.778

	C1	O2	N3	H4	H5	H6
C1		1.3512	1.2625	1.1018	1.9050	1.8725
O2	1.3512		2.2600	2.0683	0.9608	3.1197
N3	1.2625	2.2600		2.1059	3.0498	1.0187
H4	1.1018	2.0683	2.1059		2.1372	2.2540
H5	1.9050	0.9608	3.0498	2.1372		3.7772
H6	1.8725	3.1197	1.0187	2.2540	3.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.814	C1	N3	H6	109.877
O2	C1	N3	119.651	O2	C1	H4	114.567
N3	C1	H4	125.782

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: wB97X-D/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	0.837
2	O	-0.423
3	N	-0.314
4	H	-0.284
5	H	0.164
6	H	0.020

	x	y	z	Total
	-2.136	3.196	0.000	3.844
CHELPG
AIM
ESP

	x	y	z
x	5.565	-0.028	0.000
y	-0.028	3.842	0.000
z	0.000	0.000	2.948

<r²>	41.455
(<r²>)^1/2	6.439