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	hartrees
Energy at 0K	-94.672501
Energy at 298.15K
HF Energy	-94.672501
Nuclear repulsion energy	32.950241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3411	3411	2.18
2	A'	3112	3112	34.77
3	A'	3013	3013	53.18
4	A'	1704	1704	20.72
5	A'	1494	1494	5.67
6	A'	1374	1374	42.29
7	A'	1067	1067	36.85
8	A"	1170	1170	44.60
9	A"	1098	1098	15.51

Atom	x (Å)	y (Å)
C1	0.056	0.584
N2	0.056	-0.683
H3	-0.842	1.212
H4	1.013	1.107
H5	-0.901	-1.046

	C1	N2	H3	H4	H5
C1		1.2668	1.0952	1.0904	1.8902
N2	1.2668		2.0961	2.0292	1.0233
H3	1.0952	2.0961		1.8578	2.2584
H4	1.0904	2.0292	1.8578		2.8804
H5	1.8902	1.0233	2.2584	2.8804

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.804		N2	C1	H3	124.944
N2	C1	H4	118.635		H3	C1	H4	116.420

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: TPSSh/Def2TZVPP

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	-0.029
2	N	-0.256
3	H	0.055
4	H	0.077
5	H	0.153

	x	y	z	Total
	-1.353	1.426	0.000	1.965
CHELPG
AIM
ESP

	x	y	z
x	3.003	0.177	0.000
y	0.177	4.157	0.000
z	0.000	0.000	2.081

<r²>	19.583
(<r²>)^1/2	4.425

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: TPSSh/Def2TZVPP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)