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	hartrees
Energy at 0K	-169.069135
Energy at 298.15K	-169.073119
HF Energy	-169.069135
Nuclear repulsion energy	71.105312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3747	3747	79.25
2	A'	3479	3479	19.99
3	A'	2934	2934	62.16
4	A'	1753	1753	213.21
5	A'	1357	1357	16.86
6	A'	1283	1283	170.55
7	A'	1150	1150	18.74
8	A'	1018	1018	229.12
9	A'	611	611	2.62
10	A"	991	991	2.09
11	A"	798	798	71.74
12	A"	432	432	60.82

Atom	x (Å)	y (Å)
C1	0.000	0.371
O2	-0.998	-0.523
N3	1.190	-0.025
H4	-0.339	1.426
H5	-1.851	-0.059
H6	1.843	0.762

	C1	O2	N3	H4	H5	H6
C1		1.3399	1.2540	1.1078	1.9004	1.8837
O2	1.3399		2.2438	2.0574	0.9710	3.1177
N3	1.2540	2.2438		2.1074	3.0410	1.0223
H4	1.1078	2.0574	2.1074		2.1195	2.2803
H5	1.9004	0.9710	3.0410	2.1195		3.7839
H6	1.8837	3.1177	1.0223	2.2803	3.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.600	C1	N3	H6	111.281
O2	C1	N3	119.731	O2	C1	H4	114.058
N3	C1	H4	126.212

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: LSDA/Def2TZVPP

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	-0.096
2	O	-0.151
3	N	-0.184
4	H	0.085
5	H	0.194
6	H	0.151

	x	y	z	Total
	-2.067	3.040	0.000	3.677
CHELPG
AIM
ESP

	x	y	z
x	5.537	-0.047	0.000
y	-0.047	3.667	0.000
z	0.000	0.000	2.501

<r²>	41.124
(<r²>)^1/2	6.413