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	hartrees
Energy at 0K	-169.640634
Energy at 298.15K	-169.644635
HF Energy	-168.980335
Nuclear repulsion energy	70.937779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3872	3872	94.94
2	A'	3568	3568	14.55
3	A'	3103	3103	43.46
4	A'	1743	1743	175.63
5	A'	1419	1419	9.12
6	A'	1335	1335	162.05
7	A'	1195	1195	31.75
8	A'	1066	1066	214.67
9	A'	618	618	1.39
10	A"	1041	1041	2.17
11	A"	839	839	63.11
12	A"	403	403	66.40

Atom	x (Å)	y (Å)
C1	0.000	0.376
O2	-1.003	-0.530
N3	1.197	-0.022
H4	-0.331	1.414
H5	-1.841	-0.062
H6	1.814	0.783

	C1	O2	N3	H4	H5	H6
C1		1.3515	1.2616	1.0890	1.8926	1.8585
O2	1.3515		2.2580	2.0565	0.9599	3.1072
N3	1.2616	2.2580		2.0965	3.0386	1.0133
H4	1.0890	2.0565	2.0965		2.1119	2.2352
H5	1.8926	0.9599	3.0386	2.1119		3.7511
H6	1.8585	3.1072	1.0133	2.2352	3.7511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.757	C1	N3	H6	109.072
O2	C1	N3	119.517	O2	C1	H4	114.416
N3	C1	H4	126.068

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: MP2=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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