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	hartrees
Energy at 0K	-94.454300
Energy at 298.15K
HF Energy	-94.383797
Nuclear repulsion energy	32.550368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3393	3393	14.85
2	A'	3211	3211	36.97
3	A'	3077	3077	46.76
4	A'	1692	1692	9.80
5	A'	1526	1526	4.64
6	A'	1374	1374	50.99
7	A'	1089	1089	53.90
8	A"	1183	1183	64.75
9	A"	1116	1116	16.61

Atom	x (Å)	y (Å)
C1	0.055	0.598
N2	0.055	-0.691
H3	-0.834	1.238
H4	1.012	1.113
H5	-0.889	-1.102

	C1	N2	H3	H4	H5
C1		1.2887	1.0948	1.0869	1.9445
N2	1.2887		2.1235	2.0420	1.0296
H3	1.0948	2.1235		1.8496	2.3408
H4	1.0869	2.0420	1.8496		2.9191
H5	1.9445	1.0296	2.3408	2.9191

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	113.552		N2	C1	H3	125.779
N2	C1	H4	118.289		H3	C1	H4	115.933

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B2PLYP/6-31G

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	-0.108
2	N	-0.433
3	H	0.125
4	H	0.153
5	H	0.264

	x	y	z	Total
	-1.658	1.438	0.000	2.195
CHELPG
AIM
ESP

	x	y	z
x	2.481	0.285	0.000
y	0.285	3.722	0.000
z	0.000	0.000	1.016

<r²>	19.945
(<r²>)^1/2	4.466

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)