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	hartrees
Energy at 0K	-169.593268
Energy at 298.15K	-169.597270
HF Energy	-168.981149
Nuclear repulsion energy	71.132623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3961	3961	90.62
2	A'	3604	3604	10.15
3	A'	3122	3122	39.52
4	A'	1809	1809	189.39
5	A'	1459	1459	16.53
6	A'	1370	1370	169.08
7	A'	1225	1225	39.07
8	A'	1093	1093	201.78
9	A'	628	628	1.03
10	A"	1068	1068	3.43
11	A"	850	850	58.82
12	A"	380	380	70.87

Atom	x (Å)	y (Å)
C1	0.000	0.372
O2	-1.000	-0.532
N3	1.195	-0.015
H4	-0.329	1.411
H5	-1.838	-0.075
H6	1.806	0.790

	C1	O2	N3	H4	H5	H6
C1		1.3485	1.2557	1.0896	1.8915	1.8541
O2	1.3485		2.2549	2.0558	0.9542	3.1025
N3	1.2557	2.2549		2.0867	3.0330	1.0110
H4	1.0896	2.0558	2.0867		2.1177	2.2240
H5	1.8915	0.9542	3.0330	2.1177		3.7456
H6	1.8541	3.1025	1.0110	2.2240	3.7456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.254	C1	N3	H6	109.296
O2	C1	N3	119.924	O2	C1	H4	114.542
N3	C1	H4	125.534

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: MP3/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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