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	hartrees
Energy at 0K	-94.543027
Energy at 298.15K
HF Energy	-94.543027
Nuclear repulsion energy	32.758036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3347	3347	1.46
2	A'	3033	3033	29.92
3	A'	2934	2934	57.87
4	A'	1658	1658	19.72
5	A'	1442	1442	4.72
6	A'	1322	1322	37.33
7	A'	1036	1036	34.69
8	A"	1131	1131	41.74
9	A"	1053	1053	18.35

Atom	x (Å)	y (Å)
C1	0.056	0.587
N2	0.056	-0.686
H3	-0.847	1.221
H4	1.020	1.114
H5	-0.907	-1.051

	C1	N2	H3	H4	H5
C1		1.2731	1.1037	1.0986	1.9003
N2	1.2731		2.1105	2.0419	1.0304
H3	1.1037	2.1105		1.8702	2.2729
H4	1.0986	2.0419	1.8702		2.8986
H5	1.9003	1.0304	2.2729	2.8986

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.725		N2	C1	H3	125.082
N2	C1	H4	118.666		H3	C1	H4	116.252

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBEultrafine/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	0.232
2	N	-0.644
3	H	0.125
4	H	0.129
5	H	0.159

	x	y	z	Total
	-1.342	1.438	0.000	1.967
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>	19.880
(<r²>)^1/2	4.459

All results from a given calculation for CH2NH (Methanimine)

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

States and conformations

All results from a given calculation for CH₂NH (Methanimine)