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	hartrees
Energy at 0K	-167.622084
Energy at 298.15K	-167.625889
HF Energy	-167.622084
Nuclear repulsion energy	68.012715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3701	3701	13.87
2	A'	3458	3458	14.38
3	A'	3258	3258	4.60
4	A'	1790	1790	65.38
5	A'	1513	1513	25.28
6	A'	1383	1383	37.95
7	A'	1292	1292	63.54
8	A'	1119	1119	104.75
9	A'	554	554	1.42
10	A"	1033	1033	3.29
11	A"	783	783	35.43
12	A"	422	422	26.31

Atom	x (Å)	y (Å)
C1	0.000	0.406
O2	-1.038	-0.556
N3	1.240	-0.047
H4	-0.337	1.470
H5	-1.885	0.028
H6	1.844	0.845

	C1	O2	N3	H4	H5	H6
C1		1.4144	1.3201	1.1168	1.9224	1.8951
O2	1.4144		2.3337	2.1436	1.0289	3.2034
N3	1.3201	2.3337		2.1886	3.1259	1.0770
H4	1.1168	2.1436	2.1886		2.1156	2.2686
H5	1.9224	1.0289	3.1259	2.1156		3.8169
H6	1.8951	3.2034	1.0770	2.2686	3.8169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	102.627	C1	N3	H6	104.022
O2	C1	N3	117.127	O2	C1	H4	115.244
N3	C1	H4	127.629

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: TPSSh/STO-3G

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	0.085
2	O	-0.189
3	N	-0.295
4	H	0.060
5	H	0.197
6	H	0.142

	x	y	z	Total
	-1.931	2.742	0.000	3.354
CHELPG
AIM
ESP

	x	y	z
x	3.721	0.222	0.000
y	0.222	1.577	0.000
z	0.000	0.000	0.432

<r²>	42.550
(<r²>)^1/2	6.523