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	hartrees
Energy at 0K	-133.702207
Energy at 298.15K	-133.707689
HF Energy	-133.127201
Nuclear repulsion energy	71.009975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3462	3313	2.83
2	A'	3148	3013	24.92
3	A'	3116	2982	15.53
4	A'	3054	2923	7.66
5	A'	1754	1679	54.21
6	A'	1508	1443	23.55
7	A'	1449	1386	20.01
8	A'	1424	1363	2.75
9	A'	1296	1240	49.15
10	A'	1085	1038	19.92
11	A'	928	888	2.91
12	A'	494	473	8.07
13	A"	3126	2991	9.63
14	A"	1501	1437	8.09
15	A"	1157	1108	44.63
16	A"	1094	1047	8.53
17	A"	702	672	8.86
18	A"	180	172	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-1.018	-0.618	0.000
C2	0.000	0.486	0.000
N3	1.263	0.369	0.000
H4	-0.540	-1.597	0.000
H5	-1.661	-0.537	0.879
H6	-1.661	-0.537	-0.879
H7	-0.397	1.501	0.000
H8	1.525	-0.618	0.000

	C1	C2	N3	H4	H5	H6	H7	H8
C1		1.5016	2.4858	1.0898	1.0916	1.0916	2.2079	2.5436
C2	1.5016		1.2689	2.1514	2.1396	2.1396	1.0900	1.8826
N3	2.4858	1.2689		2.6672	3.1853	3.1853	2.0099	1.0204
H4	1.0898	2.1514	2.6672		1.7756	1.7756	3.1010	2.2854
H5	1.0916	2.1396	3.1853	1.7756		1.7570	2.5542	3.3064
H6	1.0916	2.1396	3.1853	1.7756	1.7570		2.5542	3.3064
H7	2.2079	1.0900	2.0099	3.1010	2.5542	2.5542		2.8608
H8	2.5436	1.8826	1.0204	2.2854	3.3064	3.3064	2.8608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	127.400	C1	C2	H7	115.935
C2	C1	H4	111.245	C2	C1	H5	110.192
C2	C1	H6	110.192	C2	N3	H8	110.170
N3	C2	H7	116.664	H4	C1	H5	108.965
H4	C1	H6	108.965	H5	C1	H6	107.180

All results from a given calculation for CH₃CHNH (ethanimine)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

	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 CH3CHNH (ethanimine)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

Conformer 1 (CS NH up)

Conformer 2 (CS NH down)

All results from a given calculation for CH₃CHNH (ethanimine)