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	hartrees
Energy at 0K	-169.592240
Energy at 298.15K	-169.596233
HF Energy	-168.980965
Nuclear repulsion energy	71.056436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3936	3936	87.90
2	A'	3580	3580	9.98
3	A'	3108	3108	39.46
4	A'	1802	1802	185.70
5	A'	1454	1454	15.56
6	A'	1364	1364	165.34
7	A'	1221	1221	39.52
8	A'	1088	1088	201.91
9	A'	626	626	1.01
10	A"	1066	1066	3.60
11	A"	850	850	58.49
12	A"	374	374	70.60

Atom	x (Å)	y (Å)
C1	0.000	0.373
O2	-1.001	-0.534
N3	1.195	-0.014
H4	-0.331	1.412
H5	-1.840	-0.077
H6	1.809	0.792

	C1	O2	N3	H4	H5	H6
C1		1.3506	1.2563	1.0905	1.8943	1.8568
O2	1.3506		2.2566	2.0580	0.9557	3.1066
N3	1.2563	2.2566		2.0889	3.0360	1.0126
H4	1.0905	2.0580	2.0889		2.1200	2.2284
H5	1.8943	0.9557	3.0360	2.1200		3.7511
H6	1.8568	3.1066	1.0126	2.2284	3.7511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.249	C1	N3	H6	109.373
O2	C1	N3	119.870	O2	C1	H4	114.513
N3	C1	H4	125.617

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: CCD/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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