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	hartrees
Energy at 0K	-169.758723
Energy at 298.15K	-169.762673
HF Energy	-169.758723
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3805	3672	98.87
2	A'	3251	3137	3.96
3	A'	3110	3002	5.11
4	A'	1727	1667	5.47
5	A'	1432	1382	24.96
6	A'	1353	1306	75.22
7	A'	1174	1133	18.02
8	A'	966	932	120.83
9	A'	531	512	5.87
10	A"	954	921	32.43
11	A"	803	775	7.28
12	A"	454	438	124.58

Atom	x (Å)	y (Å)
C1	1.137	-0.044
N2	0.000	0.531
O3	-1.034	-0.388
H4	1.254	-1.136
H5	2.012	0.609
H6	-1.817	0.179

	C1	N2	O3	H4	H5	H6
C1		1.2738	2.1972	1.0983	1.0920	2.9620
N2	1.2738		1.3828	2.0860	2.0131	1.8507
O3	2.1972	1.3828		2.4067	3.2041	0.9673
H4	1.0983	2.0860	2.4067		1.9028	3.3408
H5	1.0920	2.0131	3.2041	1.9028		3.8526
H6	2.9620	1.8507	0.9673	3.3408	3.8526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	111.526	N2	C1	H4	122.966
N2	C1	H5	116.408	N2	O3	H6	102.457
H4	C1	H5	120.625

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: B3PW91/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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Number	Element	Mulliken
1	C	0.020
2	N	-0.109
3	O	-0.186
4	H	0.042
5	H	0.060
6	H	0.173

	x	y	z	Total
	-0.002	-0.021	0.000	0.021
CHELPG
AIM
ESP

	x	y	z
x	5.262	-0.187	0.000
y	-0.187	2.918	0.000
z	0.000	0.000	1.589

<r²>	40.312
(<r²>)^1/2	6.349

All results from a given calculation for CH2NOH (formaldoxime)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)