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	hartrees
Energy at 0K	-94.587130
Energy at 298.15K
HF Energy	-94.587130
Nuclear repulsion energy	32.639084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3344	3344	4.47
2	A'	3065	3065	37.88
3	A'	2953	2953	66.00
4	A'	1656	1656	20.52
5	A'	1450	1450	4.27
6	A'	1340	1340	38.64
7	A'	1050	1050	30.85
8	A"	1133	1133	44.28
9	A"	1063	1063	14.78

Atom	x (Å)	y (Å)
C1	0.057	0.589
N2	0.057	-0.690
H3	-0.850	1.225
H4	1.025	1.115
H5	-0.911	-1.046

	C1	N2	H3	H4	H5
C1		1.2793	1.1076	1.1019	1.8998
N2	1.2793		2.1190	2.0486	1.0308
H3	1.1076	2.1190		1.8785	2.2716
H4	1.1019	2.0486	1.8785		2.9012
H5	1.8998	1.0308	2.2716	2.9012

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.182		N2	C1	H3	125.032
N2	C1	H4	118.508		H3	C1	H4	116.460

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B97D3/aug-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	0.697
2	N	-0.193
3	H	-0.210
4	H	-0.287
5	H	-0.006

	x	y	z	Total
	-1.316	1.465	0.000	1.970
CHELPG
AIM
ESP

	x	y	z
x	3.418	0.086	0.000
y	0.086	4.531	0.000
z	0.000	0.000	2.583

<r²>	19.940
(<r²>)^1/2	4.465

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)