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	hartrees
Energy at 0K	-169.769076
Energy at 298.15K	-169.773030
HF Energy	-169.769076
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3883	3694	80.99
2	A'	3280	3121	5.69
3	A'	3149	2997	4.61
4	A'	1755	1670	3.42
5	A'	1469	1397	17.89
6	A'	1373	1307	92.25
7	A'	1201	1143	17.05
8	A'	984	937	116.13
9	A'	537	511	6.58
10	A"	976	929	37.22
11	A"	813	773	6.24
12	A"	446	424	139.73

Atom	x (Å)	y (Å)
C1	1.135	-0.040
N2	0.000	0.531
O3	-1.031	-0.391
H4	1.254	-1.122
H5	2.003	0.608
H6	-1.816	0.166

	C1	N2	O3	H4	H5	H6
C1		1.2700	2.1943	1.0890	1.0834	2.9577
N2	1.2700		1.3835	2.0747	2.0046	1.8521
O3	2.1943	1.3835		2.3991	3.1948	0.9625
H4	1.0890	2.0747	2.3991		1.8855	3.3290
H5	1.0834	2.0046	3.1948	1.8855		3.8444
H6	2.9577	1.8521	0.9625	3.3290	3.8444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.499	N2	C1	H4	122.974
N2	C1	H5	116.588	N2	O3	H6	102.791
H4	C1	H5	120.438

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: mPW1PW91/6-31G**

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	-0.085
2	N	-0.127
3	O	-0.429
4	H	0.140
5	H	0.151
6	H	0.349

	x	y	z	Total
	0.083	-0.058	0.000	0.101
CHELPG
AIM
ESP

	x	y	z
x	5.158	-0.176	0.000
y	-0.176	2.852	0.000
z	0.000	0.000	1.487

<r²>	40.146
(<r²>)^1/2	6.336

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)