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	hartrees
Energy at 0K	-169.651361
Energy at 298.15K	-169.655368
HF Energy	-168.981372
Nuclear repulsion energy	71.222251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3960	3960	91.49
2	A'	3605	3605	10.66
3	A'	3120	3120	39.40
4	A'	1810	1810	190.38
5	A'	1460	1460	16.23
6	A'	1370	1370	169.61
7	A'	1225	1225	39.53
8	A'	1093	1093	203.40
9	A'	629	629	1.04
10	A"	1072	1072	3.41
11	A"	853	853	59.00
12	A"	383	383	71.12

Atom	x (Å)	y (Å)
C1	0.000	0.371
O2	-0.999	-0.532
N3	1.193	-0.013
H4	-0.329	1.408
H5	-1.837	-0.077
H6	1.805	0.790

	C1	O2	N3	H4	H5	H6
C1		1.3469	1.2536	1.0874	1.8905	1.8530
O2	1.3469		2.2526	2.0524	0.9535	3.1000
N3	1.2536	2.2526		2.0826	3.0304	1.0097
H4	1.0874	2.0524	2.0826		2.1157	2.2220
H5	1.8905	0.9535	3.0304	2.1157		3.7434
H6	1.8530	3.1000	1.0097	2.2220	3.7434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.334	C1	N3	H6	109.437
O2	C1	N3	119.994	O2	C1	H4	114.514
N3	C1	H4	125.492

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: MP3=FULL/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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