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	hartrees
Energy at 0K	-207.189361
Energy at 298.15K
HF Energy	-206.718165
Nuclear repulsion energy	116.631099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3457	3383
2	A'	3167	3100
3	A'	3129	3063
4	A'	3038	2973
5	A'	1608	1574
6	A'	1550	1517
7	A'	1460	1429
8	A'	1377	1348
9	A'	1305	1278
10	A'	1148	1124
11	A'	901	882
12	A'	834	816
13	A'	641	627
14	A'	318	311
15	A"	3088	3023
16	A"	1580	1546
17	A"	1117	1093
18	A"	866	848
19	A"	458	448
20	A"	319	312
21	A"	42i	41i

Atom	x (Å)	y (Å)	z (Å)
C1	-1.459	0.475	0.000
C2	0.000	0.901	0.000
N3	1.057	0.136	0.000
O4	0.630	-1.319	0.000
H5	1.529	-1.750	0.000
H6	-1.515	-0.616	0.000
H7	-1.968	0.872	0.891
H8	-1.968	0.872	-0.891
H9	0.229	1.968	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5193	2.5384	2.7539	3.7258	1.0932	1.1000	1.1000	2.2533
C2	1.5193		1.3050	2.3077	3.0608	2.1442	2.1603	2.1603	1.0918
N3	2.5384	1.3050		1.5159	1.9443	2.6798	3.2382	3.2382	2.0111
O4	2.7539	2.3077	1.5159		0.9970	2.2577	3.5136	3.5136	3.3118
H5	3.7258	3.0608	1.9443	0.9970		3.2488	4.4611	4.4611	3.9396
H6	1.0932	2.1442	2.6798	2.2577	3.2488		1.7927	1.7927	3.1183
H7	1.1000	2.1603	3.2382	3.5136	4.4611	1.7927		1.7813	2.6120
H8	1.1000	2.1603	3.2382	3.5136	4.4611	1.7927	1.7813		2.6120
H9	2.2533	1.0918	2.0111	3.3118	3.9396	3.1183	2.6120	2.6120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.831	C1	C2	H9	118.382
C2	C1	H6	109.231	C2	C1	H7	110.091
C2	C1	H8	110.091	C2	N3	O4	109.559
N3	C2	H9	113.786	N3	O4	H5	99.295
H6	C1	H7	109.644	H6	C1	H8	109.644
H7	C1	H8	108.123

All results from a given calculation for CH₃CHNOH (Acetaldoxime)

using model chemistry: MP4=FULL/3-21G

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/3-21G

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

All results from a given calculation for CH₃CHNOH (Acetaldoxime)