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	hartrees
Energy at 0K	-169.368100
Energy at 298.15K	-169.372107
HF Energy	-168.917950
Nuclear repulsion energy	70.903267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4005	3692	91.22
2	A'	3631	3347	3.85
3	A'	3155	2908	57.37
4	A'	1858	1713	198.17
5	A'	1487	1370	26.55
6	A'	1398	1288	169.81
7	A'	1245	1148	51.14
8	A'	1116	1029	186.34
9	A'	633	584	0.56
10	A"	1095	1009	6.02
11	A"	865	798	49.59
12	A"	365	336	74.49

Atom	x (Å)	y (Å)
C1	0.000	0.372
O2	-1.004	-0.531
N3	1.199	-0.019
H4	-0.333	1.421
H5	-1.837	-0.061
H6	1.807	0.798

	C1	O2	N3	H4	H5	H6
C1		1.3499	1.2610	1.1015	1.8875	1.8567
O2	1.3499		2.2612	2.0647	0.9571	3.1091
N3	1.2610	2.2612		2.1031	3.0364	1.0186
H4	1.1015	2.0647	2.1031		2.1121	2.2294
H5	1.8875	0.9571	3.0364	2.1121		3.7443
H6	1.8567	3.1091	1.0186	2.2294	3.7443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	108.606	C1	N3	H6	108.608
O2	C1	N3	119.965	O2	C1	H4	114.372
N3	C1	H4	125.663

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: CISD/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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