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	hartrees
Energy at 0K	-169.691107
Energy at 298.15K
HF Energy	-169.515864
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3820	3676	90.62
2	A'	3274	3151	2.55
3	A'	3132	3014	4.96
4	A'	1690	1627	5.80
5	A'	1448	1393	14.92
6	A'	1349	1298	77.95
7	A'	1172	1128	10.85
8	A'	909	875	120.79
9	A'	533	513	6.48
10	A"	977	940	35.55
11	A"	794	764	7.08
12	A"	435	418	125.46

Atom	x (Å)	y (Å)
C1	1.143	-0.032
N2	0.000	0.543
O3	-1.036	-0.407
H4	1.255	-1.120
H5	2.011	0.625
H6	-1.831	0.141

	C1	N2	O3	H4	H5	H6
C1		1.2793	2.2115	1.0942	1.0882	2.9791
N2	1.2793		1.4061	2.0835	2.0123	1.8746
O3	2.2115	1.4061		2.3996	3.2172	0.9656
H4	1.0942	2.0835	2.3996		1.9018	3.3338
H5	1.0882	2.0123	3.2172	1.9018		3.8721
H6	2.9791	1.8746	0.9656	3.3338	3.8721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.791	N2	C1	H4	122.562
N2	C1	H5	116.187	N2	O3	H6	102.869
H4	C1	H5	121.251

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)