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	hartrees
Energy at 0K	-94.617447
Energy at 298.15K
HF Energy	-94.617447
Nuclear repulsion energy	32.859265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3355	3355	2.75
2	A'	3046	3046	36.96
3	A'	2945	2945	66.20
4	A'	1661	1661	21.03
5	A'	1460	1460	5.06
6	A'	1343	1343	40.59
7	A'	1054	1054	34.22
8	A"	1139	1139	40.84
9	A"	1067	1067	16.45

Atom	x (Å)	y (Å)
C1	0.056	0.585
N2	0.056	-0.685
H3	-0.844	1.217
H4	1.015	1.112
H5	-0.901	-1.050

	C1	N2	H3	H4	H5
C1		1.2700	1.0996	1.0944	1.8951
N2	1.2700		2.1037	2.0367	1.0249
H3	1.0996	2.1037		1.8626	2.2674
H4	1.0944	2.0367	1.8626		2.8894
H5	1.8951	1.0249	2.2674	2.8894

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.890		N2	C1	H3	125.033
N2	C1	H4	118.767		H3	C1	H4	116.200

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B97D3/aug-cc-pVQZ

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	-0.691
2	N	-0.441
3	H	0.417
4	H	0.472
5	H	0.243

	x	y	z	Total
	-1.314	1.432	0.000	1.944
CHELPG
AIM
ESP

	x	y	z
x	3.436	0.085	0.000
y	0.085	4.501	0.000
z	0.000	0.000	2.630

<r²>	19.753
(<r²>)^1/2	4.444

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)