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	hartrees
Energy at 0K	-94.543022
Energy at 298.15K
HF Energy	-94.543022
Nuclear repulsion energy	32.762695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3347	3319	1.44
2	A'	3031	3006	30.10
3	A'	2931	2907	58.34
4	A'	1660	1647	19.80
5	A'	1443	1431	4.67
6	A'	1321	1310	37.06
7	A'	1035	1026	35.05
8	A"	1130	1121	41.59
9	A"	1054	1046	18.39

Atom	x (Å)	y (Å)
C1	0.056	0.586
N2	0.056	-0.686
H3	-0.847	1.222
H4	1.020	1.114
H5	-0.907	-1.050

	C1	N2	H3	H4	H5
C1		1.2727	1.1041	1.0988	1.8994
N2	1.2727		2.1110	2.0420	1.0302
H3	1.1041	2.1110		1.8700	2.2730
H4	1.0988	2.0420	1.8700		2.8982
H5	1.8994	1.0302	2.2730	2.8982

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.692		N2	C1	H3	125.136
N2	C1	H4	118.687		H3	C1	H4	116.177

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBE/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	0.233
2	N	-0.645
3	H	0.124
4	H	0.129
5	H	0.159

	x	y	z	Total
	-1.342	1.437	0.000	1.966
CHELPG
AIM
ESP

	x	y	z
x	3.289	0.100	0.000
y	0.100	4.416	0.000
z	0.000	0.000	2.493

<r²>	19.878
(<r²>)^1/2	4.458

All results from a given calculation for CH2NH (Methanimine)

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

States and conformations

All results from a given calculation for CH₂NH (Methanimine)