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	hartrees
Energy at 0K	-169.527954
Energy at 298.15K	-169.531992
HF Energy	-168.981961
Nuclear repulsion energy	71.492492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4042	4042	104.72
2	A'	3682	3682	13.96
3	A'	3179	3179	41.95
4	A'	1850	1850	223.93
5	A'	1491	1491	18.38
6	A'	1393	1393	182.24
7	A'	1244	1244	41.92
8	A'	1113	1113	204.89
9	A'	642	642	1.02
10	A"	1107	1107	3.73
11	A"	872	872	59.85
12	A"	389	389	73.86

Atom	x (Å)	y (Å)
C1	0.000	0.369
O2	-0.995	-0.531
N3	1.189	-0.010
H4	-0.330	1.402
H5	-1.833	-0.084
H6	1.803	0.786

	C1	O2	N3	H4	H5	H6
C1		1.3415	1.2480	1.0848	1.8880	1.8502
O2	1.3415		2.2457	2.0440	0.9489	3.0922
N3	1.2480	2.2457		2.0743	3.0229	1.0051
H4	1.0848	2.0440	2.0743		2.1138	2.2198
H5	1.8880	0.9489	3.0229	2.1138		3.7381
H6	1.8502	3.0922	1.0051	2.2198	3.7381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.858	C1	N3	H6	109.934
O2	C1	N3	120.231	O2	C1	H4	114.384
N3	C1	H4	125.385

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: CISD/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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