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	hartrees
Energy at 0K	-208.602357
Energy at 298.15K	-208.608244
HF Energy	-207.900891
Nuclear repulsion energy	118.876842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3837	3703
2	A'	3206	3094
3	A'	3181	3070
4	A'	3065	2958
5	A'	1702	1642
6	A'	1475	1423
7	A'	1402	1353
8	A'	1377	1329
9	A'	1325	1279
10	A'	1145	1105
11	A'	929	897
12	A'	905	874
13	A'	663	640
14	A'	316	305
15	A"	3137	3028
16	A"	1486	1434
17	A"	1053	1016
18	A"	852	822
19	A"	489	472
20	A"	377	364
21	A"	20	20

Atom	x (Å)	y (Å)	z (Å)
C1	-1.456	0.485	0.000
C2	0.000	0.870	0.000
N3	1.033	0.088	0.000
O4	0.651	-1.273	0.000
H5	1.518	-1.701	0.000
H6	-1.575	-0.608	0.000
H7	-1.958	0.905	0.891
H8	-1.958	0.905	-0.891
H9	0.271	1.936	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5065	2.5211	2.7440	3.6910	1.0992	1.1054	1.1054	2.2559
C2	1.5065		1.2960	2.2399	2.9857	2.1602	2.1512	2.1512	1.0995
N3	2.5211	1.2960		1.4139	1.8534	2.6998	3.2263	3.2263	1.9989
O4	2.7440	2.2399	1.4139		0.9670	2.3230	3.5133	3.5133	3.2313
H5	3.6910	2.9857	1.8534	0.9670		3.2804	4.4348	4.4348	3.8446
H6	1.0992	2.1602	2.6998	2.3230	3.2804		1.7974	1.7974	3.1432
H7	1.1054	2.1512	3.2263	3.5133	4.4348	1.7974		1.7817	2.6120
H8	1.1054	2.1512	3.2263	3.5133	4.4348	1.7974	1.7817		2.6120
H9	2.2559	1.0995	1.9989	3.2313	3.8446	3.1432	2.6120	2.6120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	128.049	C1	C2	H9	119.089
C2	C1	H6	111.032	C2	C1	H7	109.944
C2	C1	H8	109.944	C2	N3	O4	111.419
N3	C2	H9	112.862	N3	O4	H5	100.554
H6	C1	H7	109.228	H6	C1	H8	109.228
H7	C1	H8	107.385

All results from a given calculation for CH₃CHNOH (Acetaldoxime)

using model chemistry: MP4=FULL/cc-pVDZ

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-pVDZ

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

All results from a given calculation for CH₃CHNOH (Acetaldoxime)