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	hartrees
Energy at 0K	-94.667529
Energy at 298.15K	-94.670511
HF Energy	-94.667529
Nuclear repulsion energy	32.988122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3420	3302	2.04
2	A'	3116	3008	35.80
3	A'	3013	2909	50.87
4	A'	1715	1656	23.20
5	A'	1503	1451	6.58
6	A'	1371	1324	37.68
7	A'	1077	1040	38.14
8	A"	1170	1129	51.29
9	A"	1113	1075	14.46

Atom	x (Å)	y (Å)
C1	0.056	0.583
N2	0.056	-0.681
H3	-0.841	1.213
H4	1.011	1.108
H5	-0.897	-1.051

	C1	N2	H3	H4	H5
C1		1.2642	1.0956	1.0903	1.8917
N2	1.2642		2.0955	2.0285	1.0225
H3	1.0956	2.0955		1.8549	2.2644
H4	1.0903	2.0285	1.8549		2.8818
H5	1.8917	1.0225	2.2644	2.8818

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.196		N2	C1	H3	125.087
N2	C1	H4	118.798		H3	C1	H4	116.115

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3LYP/TZVP

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	-0.131
2	N	-0.254
3	H	0.088
4	H	0.121
5	H	0.175

	x	y	z	Total
	-1.488	1.469	0.000	2.091
CHELPG
AIM
ESP

	x	y	z
x	2.824	0.193	0.000
y	0.193	4.138	0.000
z	0.000	0.000	1.812

<r²>	19.670
(<r²>)^1/2	4.435

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)