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	hartrees
Energy at 0K	-169.893671
Energy at 298.15K	-169.897702
HF Energy	-169.893671
Nuclear repulsion energy	71.190557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3918	3918	88.23
2	A'	3578	3578	14.27
3	A'	3057	3057	48.17
4	A'	1779	1779	239.25
5	A'	1422	1422	19.24
6	A'	1339	1339	176.29
7	A'	1204	1204	32.53
8	A'	1075	1075	213.35
9	A'	627	627	1.24
10	A"	1047	1047	2.64
11	A"	839	839	65.40
12	A"	423	423	66.83

Atom	x (Å)	y (Å)
C1	0.000	0.371
O2	-0.999	-0.529
N3	1.192	-0.015
H4	-0.332	1.414
H5	-1.844	-0.082
H6	1.822	0.777

	C1	O2	N3	H4	H5	H6
C1		1.3449	1.2532	1.0942	1.8990	1.8669
O2	1.3449		2.2505	2.0545	0.9563	3.1088
N3	1.2532	2.2505		2.0893	3.0370	1.0121
H4	1.0942	2.0545	2.0893		2.1271	2.2465
H5	1.8990	0.9563	3.0370	2.1271		3.7656
H6	1.8669	3.1088	1.0121	2.2465	3.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	110.076	C1	N3	H6	110.550
O2	C1	N3	120.003	O2	C1	H4	114.379
N3	C1	H4	125.619

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: wB97X-D/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	0.363
2	O	-0.575
3	N	-0.595
4	H	0.225
5	H	0.320
6	H	0.262

	x	y	z	Total
	-2.129	3.126	0.000	3.783
CHELPG
AIM
ESP

	x	y	z
x	5.528	-0.016	0.000
y	-0.016	3.869	0.000
z	0.000	0.000	3.015

<r²>	41.090
(<r²>)^1/2	6.410