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	hartrees
Energy at 0K	-208.644944
Energy at 298.15K
HF Energy	-207.941187
Nuclear repulsion energy	119.689495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3927	3747	84.01
2	A'	3196	3050	11.22
3	A'	3182	3036	4.11
4	A'	3063	2922	15.42
5	A'	1758	1677	7.79
6	A'	1507	1437	16.12
7	A'	1434	1368	17.92
8	A'	1408	1344	40.29
9	A'	1362	1300	28.53
10	A'	1165	1112	8.36
11	A'	971	927	107.24
12	A'	927	885	0.15
13	A'	680	649	12.33
14	A'	322	308	1.45
15	A"	3121	2978	17.04
16	A"	1512	1443	8.52
17	A"	1080	1030	1.41
18	A"	872	832	10.54
19	A"	489	467	35.24
20	A"	382	365	94.46
21	A"	56i	53i	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-1.454	0.477	0.000
C2	0.000	0.864	0.000
N3	1.022	0.091	0.000
O4	0.658	-1.262	0.000
H5	1.514	-1.690	0.000
H6	-1.574	-0.606	0.000
H7	-1.948	0.896	0.885
H8	-1.948	0.896	-0.885
H9	0.263	1.920	0.000

	C1	C2	N3	O4	H5	H6	H7	H8	H9
C1		1.5047	2.5062	2.7357	3.6753	1.0899	1.0964	1.0964	2.2435
C2	1.5047		1.2812	2.2252	2.9692	2.1540	2.1397	2.1397	1.0891
N3	2.5062	1.2812		1.4014	1.8482	2.6886	3.2019	3.2019	1.9805
O4	2.7357	2.2252	1.4014		0.9575	2.3265	3.4972	3.4972	3.2069
H5	3.6753	2.9692	1.8482	0.9575		3.2732	4.4112	4.4112	3.8214
H6	1.0899	2.1540	2.6886	2.3265	3.2732		1.7831	1.7831	3.1244
H7	1.0964	2.1397	3.2019	3.4972	4.4112	1.7831		1.7692	2.5926
H8	1.0964	2.1397	3.2019	3.4972	4.4112	1.7831	1.7692		2.5926
H9	2.2435	1.0891	1.9805	3.2069	3.8214	3.1244	2.5926	2.5926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	128.022	C1	C2	H9	118.884
C2	C1	H6	111.228	C2	C1	H7	109.692
C2	C1	H8	109.692	C2	N3	O4	112.012
N3	C2	H9	113.094	N3	O4	H5	101.501
H6	C1	H7	109.290	H6	C1	H8	109.290
H7	C1	H8	107.572

All results from a given calculation for CH₃CHNOH (Acetaldoxime)

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

States and conformations

Conformer 1 (CS trans)

Conformer 2 (CS cis)

All results from a given calculation for CH₃CHNOH (Acetaldoxime)