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	hartrees
Energy at 0K	-93.979470
Energy at 298.15K
HF Energy	-93.979470
Nuclear repulsion energy	32.714048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	3175	11.69
2	A'	3156	3029	36.52
3	A'	3040	2918	42.83
4	A'	1711	1642	7.95
5	A'	1536	1474	2.71
6	A'	1372	1317	64.53
7	A'	1099	1055	51.22
8	A"	1192	1144	57.28
9	A"	1119	1074	25.79

Atom	x (Å)	y (Å)
C1	0.055	0.590
N2	0.055	-0.686
H3	-0.827	1.241
H4	1.013	1.109
H5	-0.902	-1.087

	C1	N2	H3	H4	H5
C1		1.2753	1.0968	1.0900	1.9304
N2	1.2753		2.1194	2.0347	1.0375
H3	1.0968	2.1194		1.8450	2.3295
H4	1.0900	2.0347	1.8450		2.9138
H5	1.9304	1.0375	2.3295	2.9138

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	112.755		N2	C1	H3	126.456
N2	C1	H4	118.472		H3	C1	H4	115.072

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBE1PBE/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	-0.178
2	N	-0.510
3	H	0.188
4	H	0.224
5	H	0.276

	x	y	z	Total
	-1.565	1.285	0.000	2.025
CHELPG
AIM
ESP

	x	y	z
x	2.328	0.329	0.000
y	0.329	3.446	0.000
z	0.000	0.000	0.890

<r²>	19.662
(<r²>)^1/2	4.434

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBE1PBE/3-21G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)