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	hartrees
Energy at 0K	-169.684190
Energy at 298.15K	-169.688161
HF Energy	-169.684190
Nuclear repulsion energy	70.379365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3729	3690	47.85
2	A'	3446	3411	3.56
3	A'	2935	2905	69.83
4	A'	1722	1705	167.25
5	A'	1371	1357	13.16
6	A'	1297	1284	145.58
7	A'	1165	1153	33.22
8	A'	1033	1023	203.14
9	A'	598	592	1.74
10	A"	994	984	3.97
11	A"	805	797	57.92
12	A"	419	414	52.44

Atom	x (Å)	y (Å)
C1	0.000	0.379
O2	-1.009	-0.533
N3	1.205	-0.025
H4	-0.348	1.432
H5	-1.851	-0.050
H6	1.836	0.784

	C1	O2	N3	H4	H5	H6
C1		1.3597	1.2708	1.1089	1.9006	1.8799
O2	1.3597		2.2711	2.0725	0.9712	3.1345
N3	1.2708	2.2711		2.1294	3.0565	1.0257
H4	1.1089	2.0725	2.1294		2.1107	2.2783
H5	1.9006	0.9712	3.0565	2.1107		3.7804
H6	1.8799	3.1345	1.0257	2.2783	3.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.092	C1	N3	H6	109.429
O2	C1	N3	119.359	O2	C1	H4	113.797
N3	C1	H4	126.845

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

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	0.087
2	O	-0.303
3	N	-0.408
4	H	0.090
5	H	0.302
6	H	0.233

	x	y	z	Total
	-2.028	2.790	0.000	3.449
CHELPG
AIM
ESP

	x	y	z
x	5.088	0.077	0.000
y	0.077	3.147	0.000
z	0.000	0.000	1.911

<r²>	41.380
(<r²>)^1/2	6.433