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	hartrees
Energy at 0K	-94.040261
Energy at 298.15K
HF Energy	-94.040261
Nuclear repulsion energy	32.462978

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3168	30.32
2	A'	3063	3063	41.61
3	A'	2933	2933	68.08
4	A'	1647	1647	6.16
5	A'	1495	1495	0.61
6	A'	1341	1341	63.86
7	A'	1078	1078	46.49
8	A"	1159	1159	52.08
9	A"	1074	1074	21.87

Atom	x (Å)	y (Å)
C1	0.056	0.594
N2	0.056	-0.693
H3	-0.826	1.258
H4	1.021	1.112
H5	-0.916	-1.081

	C1	N2	H3	H4	H5
C1		1.2865	1.1039	1.0955	1.9361
N2	1.2865		2.1407	2.0467	1.0463
H3	1.1039	2.1407		1.8526	2.3405
H4	1.0955	2.0467	1.8526		2.9258
H5	1.9361	1.0463	2.3405	2.9258

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.768		N2	C1	H3	126.990
N2	C1	H4	118.235		H3	C1	H4	114.775

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B97D3/3-21G*

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	-0.154
2	N	-0.482
3	H	0.170
4	H	0.207
5	H	0.259

	x	y	z	Total
	-1.475	1.228	0.000	1.919
CHELPG
AIM
ESP

	x	y	z
x	2.426	0.320	0.000
y	0.320	3.512	0.000
z	0.000	0.000	0.908

<r²>	19.833
(<r²>)^1/2	4.453

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B97D3/3-21G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)