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	hartrees
Energy at 0K	-94.617367
Energy at 298.15K
HF Energy	-94.617367
Nuclear repulsion energy	33.084775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3486	3486	1.58
2	A'	3151	3151	23.24
3	A'	3058	3058	36.21
4	A'	1749	1749	25.35
5	A'	1500	1500	7.99
6	A'	1369	1369	37.20
7	A'	1074	1074	36.03
8	A"	1170	1170	44.54
9	A"	1117	1117	18.51

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.679
H3	-0.845	1.198
H4	1.009	1.108
H5	-0.896	-1.045

	C1	N2	H3	H4	H5
C1		1.2605	1.0921	1.0884	1.8847
N2	1.2605		2.0824	2.0247	1.0203
H3	1.0921	2.0824		1.8565	2.2436
H4	1.0884	2.0247	1.8565		2.8745
H5	1.8847	1.0203	2.2436	2.8745

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.013		N2	C1	H3	124.377
N2	C1	H4	118.893		H3	C1	H4	116.730

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: M06-2X/6-311+G(3df,2p)

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	0.203
2	N	-0.759
3	H	0.174
4	H	0.176
5	H	0.207

	x	y	z	Total
	-1.383	1.522	0.000	2.057
CHELPG
AIM
ESP

	x	y	z
x	3.067	0.146	0.000
y	0.146	4.151	0.000
z	0.000	0.000	2.374

<r²>	19.558
(<r²>)^1/2	4.422

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂NH (Methanimine)