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	hartrees
Energy at 0K	-208.551861
Energy at 298.15K
HF Energy	-207.878179
Nuclear repulsion energy	118.970829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3740	3596
2	A'	3198	3075
3	A'	3177	3055
4	A'	3066	2948
5	A'	1717	1651
6	A'	1527	1468
7	A'	1448	1393
8	A'	1404	1350
9	A'	1355	1303
10	A'	1169	1124
11	A'	944	908
12	A'	906	871
13	A'	670	645
14	A'	317	305
15	A"	3129	3009
16	A"	1535	1476
17	A"	1088	1046
18	A"	859	826
19	A"	488	470
20	A"	380	365
21	A"	82i	79i

Atom	x (Å)	y (Å)	z (Å)
C1	-1.450	0.488	0.000
C2	0.000	0.870	0.000
N3	1.032	0.093	0.000
O4	0.646	-1.278	0.000
H5	1.515	-1.717	0.000
H6	-1.571	-0.598	0.000
H7	-1.948	0.905	0.885
H8	-1.948	0.905	-0.885
H9	0.266	1.929	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.4995	2.5129	2.7400	3.6948	1.0922	1.0982	1.0982	2.2410
C2	1.4995		1.2914	2.2423	2.9977	2.1495	2.1403	2.1403	1.0920
N3	2.5129	1.2914		1.4241	1.8735	2.6924	3.2131	3.2131	1.9889
O4	2.7400	2.2423	1.4241		0.9741	2.3180	3.5038	3.5038	3.2288
H5	3.6948	2.9977	1.8735	0.9741		3.2822	4.4333	4.4333	3.8538
H6	1.0922	2.1495	2.6924	2.3180	3.2822		1.7847	1.7847	3.1237
H7	1.0982	2.1403	3.2131	3.5038	4.4333	1.7847		1.7701	2.5953
H8	1.0982	2.1403	3.2131	3.5038	4.4333	1.7847	1.7701		2.5953
H9	2.2410	1.0920	1.9889	3.2288	3.8538	3.1237	2.5953	2.5953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	128.269	C1	C2	H9	118.872
C2	C1	H6	111.098	C2	C1	H7	109.997
C2	C1	H8	109.997	C2	N3	O4	111.237
N3	C2	H9	112.859	N3	O4	H5	101.082
H6	C1	H7	109.133	H6	C1	H8	109.133
H7	C1	H8	107.399

All results from a given calculation for CH₃CHNOH (Acetaldoxime)

using model chemistry: MP4=FULL/6-31G*

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/6-31G*

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

All results from a given calculation for CH₃CHNOH (Acetaldoxime)