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	hartrees
Energy at 0K	-169.517023
Energy at 298.15K	-169.521082
HF Energy	-168.973768
Nuclear repulsion energy	71.558620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4063	3754	111.81
2	A'	3694	3414	17.55
3	A'	3180	2938	36.47
4	A'	1850	1709	240.85
5	A'	1492	1379	17.48
6	A'	1393	1287	190.26
7	A'	1241	1147	41.24
8	A'	1115	1030	200.99
9	A'	642	594	1.06
10	A"	1108	1024	3.17
11	A"	875	809	61.36
12	A"	407	376	76.05

Atom	x (Å)	y (Å)
C1	0.000	0.368
O2	-0.995	-0.526
N3	1.188	-0.014
H4	-0.326	1.404
H5	-1.835	-0.085
H6	1.808	0.778

	C1	O2	N3	H4	H5	H6
C1		1.3382	1.2475	1.0857	1.8900	1.8537
O2	1.3382		2.2422	2.0429	0.9485	3.0917
N3	1.2475	2.2422		2.0739	3.0232	1.0059
H4	1.0857	2.0429	2.0739		2.1197	2.2238
H5	1.8900	0.9485	3.0232	2.1197		3.7435
H6	1.8537	3.0917	1.0059	2.2238	3.7435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	110.321	C1	N3	H6	110.240
O2	C1	N3	120.217	O2	C1	H4	114.475
N3	C1	H4	125.307

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: CID/6-311+G(3df,2p)

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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