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	hartrees
Energy at 0K	-94.669398
Energy at 298.15K
HF Energy	-94.669398
Nuclear repulsion energy	33.019693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3426	3311	1.04
2	A'	3103	2999	37.15
3	A'	3010	2909	52.90
4	A'	1714	1656	21.59
5	A'	1493	1443	6.47
6	A'	1372	1326	46.76
7	A'	1074	1039	37.27
8	A"	1169	1130	45.39
9	A"	1102	1065	15.67

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.681
H3	-0.840	1.210
H4	1.010	1.110
H5	-0.897	-1.048

	C1	N2	H3	H4	H5
C1		1.2631	1.0942	1.0899	1.8880
N2	1.2631		2.0926	2.0287	1.0210
H3	1.0942	2.0926		1.8527	2.2584
H4	1.0899	2.0287	1.8527		2.8791
H5	1.8880	1.0210	2.2584	2.8791

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.046		N2	C1	H3	125.014
N2	C1	H4	118.937		H3	C1	H4	116.049

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3LYP/cc-pVTZ

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	-0.083
2	N	-0.234
3	H	0.067
4	H	0.107
5	H	0.142

	x	y	z	Total
	-1.346	1.390	0.000	1.935
CHELPG
AIM
ESP	-1.332	1.381	0.000	1.919

	x	y	z
x	2.920	0.198	-0.001
y	0.198	4.008	-0.004
z	-0.001	-0.004	1.899

<r²>	19.556
(<r²>)^1/2	4.422

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)