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	hartrees
Energy at 0K	-94.646129
Energy at 298.15K
HF Energy	-94.646129
Nuclear repulsion energy	32.808134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3426	3426	1.21
2	A'	3128	3128	29.71
3	A'	3020	3020	49.57
4	A'	1702	1702	22.61
5	A'	1478	1478	7.03
6	A'	1365	1365	40.79
7	A'	1070	1070	32.84
8	A"	1154	1154	46.65
9	A"	1100	1100	14.38

Atom	x (Å)	y (Å)
C1	0.057	0.587
N2	0.057	-0.686
H3	-0.850	1.212
H4	1.018	1.114
H5	-0.903	-1.049

	C1	N2	H3	H4	H5
C1		1.2724	1.1011	1.0967	1.8962
N2	1.2724		2.1030	2.0405	1.0258
H3	1.1011	2.1030		1.8705	2.2615
H4	1.0967	2.0405	1.8705		2.8928
H5	1.8962	1.0258	2.2615	2.8928

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.738		N2	C1	H3	124.600
N2	C1	H4	118.741		H3	C1	H4	116.659

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3LYPultrafine/daug-cc-pVDZ

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	0.993
2	N	0.263
3	H	-0.617
4	H	-0.555
5	H	-0.084

	x	y	z	Total
	-1.353	1.510	0.000	2.028
CHELPG
AIM
ESP

	x	y	z
x	3.371	0.109	0.000
y	0.109	4.451	0.000
z	0.000	0.000	2.608

<r²>	19.849
(<r²>)^1/2	4.455

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3LYPultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)