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	hartrees
Energy at 0K	-169.896459
Energy at 298.15K	-169.900476
HF Energy	-169.896459
Nuclear repulsion energy	71.179409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3906	3906	84.27
2	A'	3577	3577	11.73
3	A'	3053	3053	56.53
4	A'	1785	1785	216.42
5	A'	1426	1426	15.66
6	A'	1338	1338	175.47
7	A'	1199	1199	32.16
8	A'	1070	1070	215.54
9	A'	624	624	1.47
10	A"	1050	1050	2.81
11	A"	835	835	64.42
12	A"	413	413	65.62

Atom	x (Å)	y (Å)
C1	0.000	0.371
O2	-0.999	-0.530
N3	1.192	-0.014
H4	-0.337	1.413
H5	-1.842	-0.077
H6	1.820	0.780

	C1	O2	N3	H4	H5	H6
C1		1.3452	1.2532	1.0950	1.8960	1.8658
O2	1.3452		2.2509	2.0528	0.9575	3.1086
N3	1.2532	2.2509		2.0919	3.0353	1.0126
H4	1.0950	2.0528	2.0919		2.1183	2.2483
H5	1.8960	0.9575	3.0353	2.1183		3.7617
H6	1.8658	3.1086	1.0126	2.2483	3.7617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.705	C1	N3	H6	110.421
O2	C1	N3	120.022	O2	C1	H4	114.151
N3	C1	H4	125.827

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: mPW1PW91/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	0.080
2	O	-0.216
3	N	-0.263
4	H	0.054
5	H	0.196
6	H	0.148

	x	y	z	Total
	-2.103	3.109	0.000	3.754
CHELPG
AIM
ESP

	x	y	z
x	5.208	-0.015	0.000
y	-0.015	3.429	0.000
z	0.000	0.000	2.416

<r²>	40.998
(<r²>)^1/2	6.403