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	hartrees
Energy at 0K	-169.904249
Energy at 298.15K	-169.908200
HF Energy	-169.904249
Nuclear repulsion energy	70.218516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3689	3689	51.18
2	A'	3414	3414	6.17
3	A'	2938	2938	68.99
4	A'	1681	1681	179.05
5	A'	1367	1367	11.69
6	A'	1280	1280	148.93
7	A'	1149	1149	49.12
8	A'	1002	1002	220.06
9	A'	599	599	1.61
10	A"	990	990	2.37
11	A"	796	796	65.26
12	A"	409	409	57.04

Atom	x (Å)	y (Å)
C1	0.000	0.382
O2	-1.008	-0.547
N3	1.206	-0.007
H4	-0.355	1.425
H5	-1.864	-0.087
H6	1.844	0.793

	C1	O2	N3	H4	H5	H6
C1		1.3709	1.2670	1.1020	1.9223	1.8889
O2	1.3709		2.2786	2.0775	0.9719	3.1508
N3	1.2670	2.2786		2.1187	3.0709	1.0232
H4	1.1020	2.0775	2.1187		2.1362	2.2883
H5	1.9223	0.9719	3.0709	2.1362		3.8108
H6	1.8889	3.1508	1.0232	2.2883	3.8108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.081	C1	N3	H6	110.678
O2	C1	N3	119.433	O2	C1	H4	113.858
N3	C1	H4	126.710

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: BLYP/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	0.029
2	O	-0.202
3	N	-0.208
4	H	0.060
5	H	0.184
6	H	0.136

	x	y	z	Total
	-1.991	3.004	0.000	3.604
CHELPG
AIM
ESP

	x	y	z
x	5.638	0.023	0.000
y	0.023	3.686	0.000
z	0.000	0.000	2.510

<r²>	42.034
(<r²>)^1/2	6.483