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	hartrees
Energy at 0K	-94.044337
Energy at 298.15K
HF Energy	-94.044337
Nuclear repulsion energy	32.731310

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3305	3169	6.21
2	A'	3184	3053	28.40
3	A'	3063	2937	29.81
4	A'	1725	1654	9.29
5	A'	1544	1481	3.29
6	A'	1376	1319	56.36
7	A'	1097	1052	53.99
8	A"	1195	1145	57.97
9	A"	1136	1089	23.76

Atom	x (Å)	y (Å)
C1	0.055	0.590
N2	0.055	-0.685
H3	-0.829	1.235
H4	1.011	1.109
H5	-0.899	-1.093

	C1	N2	H3	H4	H5
C1		1.2753	1.0936	1.0875	1.9350
N2	1.2753		2.1133	2.0328	1.0379
H3	1.0936	2.1133		1.8438	2.3287
H4	1.0875	2.0328	1.8438		2.9151
H5	1.9350	1.0379	2.3287	2.9151

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	113.147		N2	C1	H3	126.099
N2	C1	H4	118.488		H3	C1	H4	115.412

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: M06-2X/3-21G

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	-0.152
2	N	-0.503
3	H	0.176
4	H	0.210
5	H	0.270

	x	y	z	Total
	-1.594	1.328	0.000	2.075
CHELPG
AIM
ESP

	x	y	z
x	2.289	0.346	0.000
y	0.346	3.391	0.000
z	0.000	0.000	0.873

<r²>	19.682
(<r²>)^1/2	4.436

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)