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	hartrees
Energy at 0K	-94.547233
Energy at 298.15K
HF Energy	-94.547233
Nuclear repulsion energy	33.056400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3487	3487	0.54
2	A'	3132	3132	27.12
3	A'	3035	3035	46.85
4	A'	1734	1734	23.53
5	A'	1489	1489	7.41
6	A'	1364	1364	39.32
7	A'	1068	1068	36.45
8	A"	1169	1169	44.70
9	A"	1104	1104	18.64

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.680
H3	-0.844	1.205
H4	1.011	1.108
H5	-0.896	-1.046

	C1	N2	H3	H4	H5
C1		1.2611	1.0950	1.0907	1.8853
N2	1.2611		2.0882	2.0268	1.0197
H3	1.0950	2.0882		1.8581	2.2510
H4	1.0907	2.0268	1.8581		2.8767
H5	1.8853	1.0197	2.2510	2.8767

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.055		N2	C1	H3	124.675
N2	C1	H4	118.865		H3	C1	H4	116.460

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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	0.290
2	N	-0.698
3	H	0.126
4	H	0.129
5	H	0.154

	x	y	z	Total
	-1.379	1.496	0.000	2.035
CHELPG
AIM
ESP

	x	y	z
x	3.117	0.117	0.000
y	0.117	4.233	0.000
z	0.000	0.000	2.412

<r²>	19.564
(<r²>)^1/2	4.423

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBE1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂NH (Methanimine)