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	hartrees
Energy at 0K	-168.817349
Energy at 298.15K	-168.821228
HF Energy	-168.817349
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3560	3399	34.59
2	A'	3272	3124	5.46
3	A'	3160	3016	0.75
4	A'	1683	1606	1.89
5	A'	1481	1414	8.88
6	A'	1349	1287	92.04
7	A'	1190	1136	6.53
8	A'	911	869	76.90
9	A'	508	485	9.31
10	A"	1012	966	62.36
11	A"	805	768	2.88
12	A"	396	378	166.92

Atom	x (Å)	y (Å)
C1	1.149	0.006
N2	0.000	0.567
O3	-1.042	-0.461
H4	1.286	-1.070
H5	2.014	0.657
H6	-1.861	0.097

	C1	N2	O3	H4	H5	H6
C1		1.2788	2.2405	1.0854	1.0824	3.0114
N2	1.2788		1.4640	2.0821	2.0162	1.9192
O3	2.2405	1.4640		2.4061	3.2543	0.9913
H4	1.0854	2.0821	2.4061		1.8747	3.3563
H5	1.0824	2.0162	3.2543	1.8747		3.9153
H6	3.0114	1.9192	0.9913	3.3563	3.9153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	109.360	N2	C1	H4	123.243
N2	C1	H5	117.038	N2	O3	H6	101.078
H4	C1	H5	119.719

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: mPW1PW91/3-21G

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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Number	Element	Mulliken
1	C	-0.180
2	N	-0.219
3	O	-0.457
4	H	0.232
5	H	0.240
6	H	0.384

	x	y	z	Total
	0.235	0.052	0.000	0.241
CHELPG
AIM
ESP

	x	y	z
x	5.108	-0.052	0.000
y	-0.052	2.511	0.000
z	0.000	0.000	0.960

<r²>	41.468
(<r²>)^1/2	6.440

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)