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	hartrees
Energy at 0K	-94.531027
Energy at 298.15K
HF Energy	-94.429973
Nuclear repulsion energy	32.714551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3426	3281	2.78
2	A'	3157	3023	38.71
3	A'	3049	2920	45.15
4	A'	1702	1630	18.76
5	A'	1484	1422	3.49
6	A'	1380	1321	43.35
7	A'	1073	1028	32.11
8	A"	1173	1123	43.29
9	A"	1084	1038	12.43

Atom	x (Å)	y (Å)
C1	0.057	0.587
N2	0.057	-0.690
H3	-0.842	1.228
H4	1.023	1.111
H5	-0.916	-1.030

	C1	N2	H3	H4	H5
C1		1.2764	1.1045	1.0999	1.8864
N2	1.2764		2.1184	2.0439	1.0299
H3	1.1045	2.1184		1.8694	2.2596
H4	1.0999	2.0439	1.8694		2.8884
H5	1.8864	1.0299	2.2596	2.8884

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.284		N2	C1	H3	125.529
N2	C1	H4	118.466		H3	C1	H4	116.004

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B2PLYP/cc-pVDZ

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	0.014
2	N	-0.169
3	H	0.022
4	H	0.042
5	H	0.090

	x	y	z	Total
	-1.313	1.274	0.000	1.829
CHELPG
AIM
ESP

	x	y	z
x	2.629	0.263	0.000
y	0.263	3.667	0.000
z	0.000	0.000	1.349

<r²>	19.655
(<r²>)^1/2	4.433

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)