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	hartrees
Energy at 0K	-169.949000
Energy at 298.15K	-169.953005
HF Energy	-169.949000
Nuclear repulsion energy	70.808443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3803	3803	66.04
2	A'	3500	3500	7.24
3	A'	3021	3021	61.57
4	A'	1741	1741	196.76
5	A'	1411	1411	13.67
6	A'	1323	1323	159.50
7	A'	1182	1182	40.52
8	A'	1048	1048	218.05
9	A'	609	609	1.50
10	A"	1032	1032	2.63
11	A"	824	824	65.34
12	A"	421	421	60.67

Atom	x (Å)	y (Å)
C1	0.000	0.377
O2	-1.002	-0.536
N3	1.197	-0.013
H4	-0.344	1.416
H5	-1.850	-0.079
H6	1.826	0.785

	C1	O2	N3	H4	H5	H6
C1		1.3555	1.2593	1.0950	1.9052	1.8716
O2	1.3555		2.2603	2.0605	0.9636	3.1218
N3	1.2593	2.2603		2.1024	3.0479	1.0168
H4	1.0950	2.0605	2.1024		2.1222	2.2604
H5	1.9052	0.9636	3.0479	2.1222		3.7765
H6	1.8716	3.1218	1.0168	2.2604	3.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.309	C1	N3	H6	110.171
O2	C1	N3	119.592	O2	C1	H4	114.042
N3	C1	H4	126.366

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: TPSSh/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	0.144
2	O	-0.284
3	N	-0.347
4	H	0.067
5	H	0.235
6	H	0.185

	x	y	z	Total
	-2.064	3.033	0.000	3.669
CHELPG
AIM
ESP

	x	y	z
x	5.434	0.004	0.000
y	0.004	3.659	0.000
z	0.000	0.000	2.574

<r²>	41.325
(<r²>)^1/2	6.428