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	hartrees
Energy at 0K	-94.567490
Energy at 298.15K
HF Energy	-94.567490
Nuclear repulsion energy	32.679152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3250	12.82
2	A'	3076	3015	49.85
3	A'	2963	2905	68.51
4	A'	1686	1653	23.00
5	A'	1485	1456	3.03
6	A'	1368	1341	42.87
7	A'	1066	1045	34.28
8	A"	1152	1129	47.54
9	A"	1057	1036	12.27

Atom	x (Å)	y (Å)
C1	0.056	0.587
N2	0.056	-0.690
H3	-0.838	1.237
H4	1.022	1.111
H5	-0.915	-1.039

	C1	N2	H3	H4	H5
C1		1.2776	1.1051	1.0987	1.8944
N2	1.2776		2.1243	2.0438	1.0322
H3	1.1051	2.1243		1.8644	2.2770
H4	1.0987	2.0438	1.8644		2.8941
H5	1.8944	1.0322	2.2770	2.8941

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.747		N2	C1	H3	125.984
N2	C1	H4	118.455		H3	C1	H4	115.561

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B97D3/6-31G*

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	-0.127
2	N	-0.454
3	H	0.134
4	H	0.158
5	H	0.289

	x	y	z	Total
	-1.382	1.342	0.000	1.926
CHELPG
AIM
ESP

	x	y	z
x	2.662	0.262	0.000
y	0.262	3.724	0.000
z	0.000	0.000	1.180

<r²>	19.628
(<r²>)^1/2	4.430

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)