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	hartrees
Energy at 0K	-208.872631
Energy at 298.15K	-208.878659
HF Energy	-207.964895
Nuclear repulsion energy	119.944586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3857	3714
2	A'	3192	3074
3	A'	3175	3057
4	A'	3067	2953
5	A'	1709	1645
6	A'	1499	1444
7	A'	1414	1362
8	A'	1384	1332
9	A'	1340	1290
10	A'	1155	1112
11	A'	935	900
12	A'	908	875
13	A'	668	644
14	A'	319	307
15	A"	3113	2998
16	A"	1512	1456
17	A"	1074	1034
18	A"	880	847
19	A"	503	485
20	A"	388	374
21	A"	67	64

Atom	x (Å)	y (Å)	z (Å)
C1	-1.441	0.482	0.000
C2	0.000	0.865	0.000
N3	1.021	0.092	0.000
O4	0.645	-1.268	0.000
H5	1.504	-1.697	0.000
H6	-1.562	-0.594	0.000
H7	-1.934	0.898	0.877
H8	-1.934	0.898	-0.877
H9	0.264	1.912	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4907	2.4921	2.7228	3.6635	1.0830	1.0890	1.0890	2.2247
C2	1.4907		1.2801	2.2281	2.9706	2.1371	2.1239	2.1239	1.0799
N3	2.4921	1.2801		1.4109	1.8531	2.6718	3.1859	3.1859	1.9710
O4	2.7228	2.2281	1.4109		0.9603	2.3073	3.4806	3.4806	3.2027
H5	3.6635	2.9706	1.8531	0.9603		3.2582	4.3962	4.3962	3.8161
H6	1.0830	2.1371	2.6718	2.3073	3.2582		1.7708	1.7708	3.1003
H7	1.0890	2.1239	3.1859	3.4806	4.3962	1.7708		1.7542	2.5742
H8	1.0890	2.1239	3.1859	3.4806	4.3962	1.7708	1.7542		2.5742
H9	2.2247	1.0799	1.9710	3.2027	3.8161	3.1003	2.5742	2.5742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.997	C1	C2	H9	119.006
C2	C1	H6	111.281	C2	C1	H7	109.860
C2	C1	H8	109.860	C2	N3	O4	111.693
N3	C2	H9	112.997	N3	O4	H5	101.093
H6	C1	H7	109.226	H6	C1	H8	109.226
H7	C1	H8	107.298

All results from a given calculation for CH₃CHNOH (Acetaldoxime)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

	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 CH3CHNOH (Acetaldoxime)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

All results from a given calculation for CH₃CHNOH (Acetaldoxime)