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	hartrees
Energy at 0K	-93.960070
Energy at 298.15K
HF Energy	-93.890516
Nuclear repulsion energy	32.615190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3287	17.08
2	A'	3170	3170	36.39
3	A'	3054	3054	45.47
4	A'	1688	1688	4.88
5	A'	1529	1529	1.00
6	A'	1380	1380	63.83
7	A'	1108	1108	51.19
8	A"	1193	1193	53.58
9	A"	1117	1117	19.17

Atom	x (Å)	y (Å)
C1	0.055	0.594
N2	0.055	-0.690
H3	-0.824	1.244
H4	1.010	1.112
H5	-0.902	-1.089

	C1	N2	H3	H4	H5
C1		1.2832	1.0936	1.0867	1.9352
N2	1.2832		2.1239	2.0392	1.0366
H3	1.0936	2.1239		1.8393	2.3334
H4	1.0867	2.0392	1.8393		2.9151
H5	1.9352	1.0366	2.3334	2.9151

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	112.632		N2	C1	H3	126.467
N2	C1	H4	118.490		H3	C1	H4	115.043

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B2PLYP/3-21G

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	-0.136
2	N	-0.483
3	H	0.163
4	H	0.197
5	H	0.259

	x	y	z	Total
	-1.535	1.254	0.000	1.982
CHELPG
AIM
ESP

	x	y	z
x	2.320	0.334	0.000
y	0.334	3.401	0.000
z	0.000	0.000	0.872

<r²>	19.796
(<r²>)^1/2	4.449

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B2PLYP/3-21G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)