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	hartrees
Energy at 0K	-169.690531
Energy at 298.15K	-169.694418
HF Energy	-169.690531
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3701	3675	75.92
2	A'	3154	3132	4.88
3	A'	3021	3000	8.89
4	A'	1647	1635	7.57
5	A'	1399	1389	18.18
6	A'	1308	1299	76.39
7	A'	1134	1126	12.20
8	A'	892	886	123.22
9	A'	517	514	6.27
10	A"	916	910	32.38
11	A"	775	770	11.81
12	A"	440	437	112.33

Atom	x (Å)	y (Å)
C1	1.145	-0.029
N2	0.000	0.537
O3	-1.041	-0.408
H4	1.277	-1.117
H5	2.009	0.635
H6	-1.829	0.161

	C1	N2	O3	H4	H5	H6
C1		1.2774	2.2186	1.0963	1.0898	2.9801
N2	1.2774		1.4061	2.0898	2.0114	1.8673
O3	2.2186	1.4061		2.4238	3.2235	0.9719
H4	1.0963	2.0898	2.4238		1.8993	3.3584
H5	1.0898	2.0114	3.2235	1.8993		3.8672
H6	2.9801	1.8673	0.9719	3.3584	3.8672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.447	N2	C1	H4	123.209
N2	C1	H5	116.139	N2	O3	H6	101.928
H4	C1	H5	120.651

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: PBEPBE/cc-pVTZ

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	-0.130
2	N	-0.048
3	O	-0.218
4	H	0.070
5	H	0.111
6	H	0.216

	x	y	z	Total
	0.063	-0.095	0.000	0.114
CHELPG
AIM
ESP

	x	y	z
x	5.835	-0.114	0.000
y	-0.114	3.490	0.000
z	0.000	0.000	2.295

<r²>	41.061
(<r²>)^1/2	6.408

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)