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	hartrees
Energy at 0K	-94.547502
Energy at 298.15K
HF Energy	-94.547502
Nuclear repulsion energy	33.057425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3472	3337	0.40
2	A'	3125	3003	34.26
3	A'	3030	2911	48.13
4	A'	1737	1669	22.74
5	A'	1490	1432	6.24
6	A'	1371	1317	45.42
7	A'	1071	1029	37.04
8	A"	1175	1129	46.04
9	A"	1105	1061	16.58

Atom	x (Å)	y (Å)
C1	0.056	0.581
N2	0.056	-0.680
H3	-0.842	1.208
H4	1.012	1.107
H5	-0.898	-1.040

	C1	N2	H3	H4	H5
C1		1.2609	1.0956	1.0914	1.8810
N2	1.2609		2.0911	2.0268	1.0201
H3	1.0956	2.0911		1.8569	2.2493
H4	1.0914	2.0268	1.8569		2.8741
H5	1.8810	1.0201	2.2493	2.8741

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.669		N2	C1	H3	124.952
N2	C1	H4	118.825		H3	C1	H4	116.222

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.092
2	N	-0.233
3	H	0.071
4	H	0.110
5	H	0.145

	x	y	z	Total
	-1.353	1.399	0.000	1.946
CHELPG
AIM
ESP

	x	y	z
x	2.894	0.192	0.000
y	0.192	3.970	0.000
z	0.000	0.000	1.901

<r²>	19.456
(<r²>)^1/2	4.411

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)