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	hartrees
Energy at 0K	-169.466781
Energy at 298.15K	-169.470764
HF Energy	-168.934735
Nuclear repulsion energy	70.447812

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3916	3916	84.48
2	A'	3562	3562	8.94
3	A'	3128	3128	34.98
4	A'	1780	1780	192.84
5	A'	1440	1440	18.40
6	A'	1357	1357	160.84
7	A'	1216	1216	46.31
8	A'	1080	1080	188.90
9	A'	613	613	0.81
10	A"	1039	1039	2.46
11	A"	839	839	62.61
12	A"	374	374	68.90

Atom	x (Å)	y (Å)
C1	0.000	0.379
O2	-1.010	-0.533
N3	1.205	-0.023
H4	-0.327	1.431
H5	-1.853	-0.072
H6	1.826	0.787

	C1	O2	N3	H4	H5	H6
C1		1.3612	1.2704	1.1009	1.9073	1.8715
O2	1.3612		2.2731	2.0791	0.9608	3.1289
N3	1.2704	2.2731		2.1118	3.0585	1.0211
H4	1.1009	2.0791	2.1118		2.1416	2.2476
H5	1.9073	0.9608	3.0585	2.1416		3.7786
H6	1.8715	3.1289	1.0211	2.2476	3.7786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.228	C1	N3	H6	109.032
O2	C1	N3	119.448	O2	C1	H4	114.808
N3	C1	H4	125.743

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: MP3=FULL/aug-cc-pVDZ

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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