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	hartrees
Energy at 0K	-208.670963
Energy at 298.15K
HF Energy	-207.939586
Nuclear repulsion energy	119.258004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3889	3772
2	A'	3183	3086
3	A'	3167	3071
4	A'	3051	2958
5	A'	1691	1640
6	A'	1496	1451
7	A'	1416	1373
8	A'	1386	1344
9	A'	1336	1296
10	A'	1152	1118
11	A'	936	907
12	A'	911	884
13	A'	670	650
14	A'	319	309
15	A"	3113	3019
16	A"	1502	1457
17	A"	1063	1030
18	A"	851	825
19	A"	484	470
20	A"	380	368
21	A"	54i	52i

Atom	x (Å)	y (Å)	z (Å)
C1	-1.455	0.482	0.000
C2	0.000	0.869	0.000
N3	1.028	0.090	0.000
O4	0.652	-1.270	0.000
H5	1.513	-1.695	0.000
H6	-1.571	-0.604	0.000
H7	-1.950	0.900	0.886
H8	-1.950	0.900	-0.886
H9	0.270	1.926	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5056	2.5141	2.7402	3.6808	1.0915	1.0976	1.0976	2.2497
C2	1.5056		1.2902	2.2362	2.9773	2.1535	2.1424	2.1424	1.0907
N3	2.5141	1.2902		1.4110	1.8496	2.6907	3.2116	3.2116	1.9861
O4	2.7402	2.2362	1.4110		0.9602	2.3214	3.5025	3.5025	3.2184
H5	3.6808	2.9773	1.8496	0.9602		3.2721	4.4177	4.4177	3.8280
H6	1.0915	2.1535	2.6907	2.3214	3.2721		1.7856	1.7856	3.1286
H7	1.0976	2.1424	3.2116	3.5025	4.4177	1.7856		1.7712	2.6016
H8	1.0976	2.1424	3.2116	3.5025	4.4177	1.7856	1.7712		2.6016
H9	2.2497	1.0907	1.9861	3.2184	3.8280	3.1286	2.6016	2.6016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.951	C1	C2	H9	119.254
C2	C1	H6	111.030	C2	C1	H7	109.773
C2	C1	H8	109.773	C2	N3	O4	111.683
N3	C2	H9	112.795	N3	O4	H5	100.807
H6	C1	H7	109.307	H6	C1	H8	109.307
H7	C1	H8	107.580

All results from a given calculation for CH₃CHNOH (Acetaldoxime)

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

All results from a given calculation for CH₃CHNOH (Acetaldoxime)