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	hartrees
Energy at 0K	-169.419272
Energy at 298.15K	-169.423179
HF Energy	-168.872551
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3847	3847	75.47
2	A'	3276	3276	3.32
3	A'	3141	3141	4.63
4	A'	1716	1716	2.03
5	A'	1461	1461	17.91
6	A'	1367	1367	68.29
7	A'	1182	1182	10.00
8	A'	922	922	99.42
9	A'	534	534	6.28
10	A"	979	979	33.02
11	A"	790	790	4.74
12	A"	406	406	126.33

Atom	x (Å)	y (Å)
C1	1.143	-0.036
N2	0.000	0.549
O3	-1.036	-0.407
H4	1.245	-1.128
H5	2.020	0.614
H6	-1.831	0.140

	C1	N2	O3	H4	H5	H6
C1		1.2836	2.2102	1.0971	1.0915	2.9791
N2	1.2836		1.4097	2.0885	2.0210	1.8765
O3	2.2102	1.4097		2.3921	3.2220	0.9647
H4	1.0971	2.0885	2.3921		1.9065	3.3269
H5	1.0915	2.0210	3.2220	1.9065		3.8803
H6	2.9791	1.8765	0.9647	3.3269	3.8803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.211	N2	C1	H4	122.431
N2	C1	H5	116.394	N2	O3	H6	102.816
H4	C1	H5	121.175

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: CCSD=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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All results from a given calculation for CH2NOH (formaldoxime)

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

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)