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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3908	3806	18.55
2	A'	3483	3393	11.05
3	A'	2939	2862	1.76
4	A'	1838	1790	167.64
5	A'	1421	1385	69.09
6	A'	1293	1260	49.48
7	A'	1090	1061	38.83
8	A'	1070	1042	140.34
9	A'	470	458	1.87
10	A"	933	909	0.00
11	A"	780	760	53.44
12	A"	274	267	48.43

Atom	x (Å)	y (Å)
C1	0.000	0.462
O2	-1.099	-0.319
N3	1.142	-0.135
H4	-0.285	1.522
H5	-0.857	-1.241
H6	1.942	0.444

	C1	O2	N3	H4	H5	H6
C1		1.3486	1.2888	1.0970	1.9066	1.9418
O2	1.3486		2.2488	2.0129	0.9534	3.1353
N3	1.2888	2.2488		2.1865	2.2840	0.9875
H4	1.0970	2.0129	2.1865		2.8213	2.4736
H5	1.9066	0.9534	2.2840	2.8213		3.2664
H6	1.9418	3.1353	0.9875	2.4736	3.2664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	110.657	C1	N3	H6	116.470
O2	C1	N3	116.975	O2	C1	H4	110.362
N3	C1	H4	132.663

	hartrees
Energy at 0K
Energy at 298.15K	-0.050136
HF Energy	-0.050136
Nuclear repulsion energy	56.101285

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: PM3

States and conformations

Conformer 1 (CS H all up)

Conformer 2 (CS OH down)

Conformer 3 (CS CH up)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	C1	O2	N3	H4	H5	H6
C1		1.3488	1.2888	1.0970	1.9069	1.9422
O2	1.3488		2.2491	2.0126	0.9535	3.1359
N3	1.2888	2.2491		2.1866	2.2848	0.9875
H4	1.0970	2.0126	2.1866		2.8212	2.4743
H5	1.9069	0.9535	2.2848	2.8212		3.2673
H6	1.9422	3.1359	0.9875	2.4743	3.2673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	110.667	C1	N3	H6	116.503
O2	C1	N3	116.995	O2	C1	H4	110.330
N3	C1	H4	132.676

	hartrees
Energy at 0K
Energy at 298.15K	-0.046694
HF Energy	-0.046694
Nuclear repulsion energy	55.971113

Atom	x (Å)	y (Å)
C1	0.000	0.459
O2	-1.105	-0.329
N3	1.227	0.074
H4	-0.291	1.516
H5	-0.878	-1.253
H6	1.419	-0.898

	C1	O2	N3	H4	H5	H6
C1		1.3570	1.2858	1.0962	1.9237	1.9631
O2	1.3570		2.3665	2.0166	0.9514	2.5874
N3	1.2858	2.3665		2.0930	2.4884	0.9908
H4	1.0962	2.0166	2.0930		2.8304	2.9577
H5	1.9237	0.9514	2.4884	2.8304		2.3244
H6	1.9631	2.5874	0.9908	2.9577	2.3244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	111.682	C1	N3	H6	118.586
O2	C1	N3	127.115	O2	C1	H4	110.120
N3	C1	H4	122.765