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	hartrees
Energy at 0K	-169.698295
Energy at 298.15K	-169.702227
HF Energy	-169.698295
Nuclear repulsion energy	69.465559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3568	3568	17.78
2	A'	3394	3394	3.96
3	A'	2968	2968	90.81
4	A'	1717	1717	144.94
5	A'	1396	1396	8.71
6	A'	1263	1263	128.50
7	A'	1145	1145	49.16
8	A'	969	969	284.57
9	A'	601	601	2.79
10	A"	1017	1017	3.12
11	A"	809	809	90.43
12	A"	392	392	85.95

Atom	x (Å)	y (Å)
C1	0.000	0.396
O2	-1.016	-0.555
N3	1.214	-0.003
H4	-0.364	1.437
H5	-1.896	-0.118
H6	1.891	0.771

	C1	O2	N3	H4	H5	H6
C1		1.3918	1.2780	1.1029	1.9641	1.9277
O2	1.3918		2.2972	2.0960	0.9824	3.1952
N3	1.2780	2.2972		2.1369	3.1117	1.0288
H4	1.1029	2.0960	2.1369		2.1821	2.3514
H5	1.9641	0.9824	3.1117	2.1821		3.8894
H6	1.9277	3.1952	1.0288	2.3514	3.8894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	110.446	C1	N3	H6	112.922
O2	C1	N3	118.670	O2	C1	H4	113.816
N3	C1	H4	127.514

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: B97D3/6-31G

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	0.183
2	O	-0.505
3	N	-0.441
4	H	0.127
5	H	0.370
6	H	0.266

	x	y	z	Total
	-1.897	3.567	0.000	4.039
CHELPG
AIM
ESP

	x	y	z
x	5.218	0.064	0.000
y	0.064	2.939	0.000
z	0.000	0.000	1.222

<r²>	42.370
(<r²>)^1/2	6.509