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	hartrees
Energy at 0K	-94.608394
Energy at 298.15K
HF Energy	-94.608394
Nuclear repulsion energy	32.844956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3348	3301	4.09
2	A'	3042	3000	44.74
3	A'	2943	2902	67.25
4	A'	1664	1641	19.94
5	A'	1461	1441	4.02
6	A'	1348	1329	45.73
7	A'	1054	1039	35.08
8	A"	1146	1130	42.86
9	A"	1066	1051	14.44

Atom	x (Å)	y (Å)
C1	0.056	0.585
N2	0.056	-0.685
H3	-0.841	1.222
H4	1.017	1.111
H5	-0.905	-1.044

	C1	N2	H3	H4	H5
C1		1.2704	1.1005	1.0953	1.8913
N2	1.2704		2.1078	2.0372	1.0260
H3	1.1005	2.1078		1.8614	2.2665
H4	1.0953	2.0372	1.8614		2.8875
H5	1.8913	1.0260	2.2665	2.8875

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.445		N2	C1	H3	125.360
N2	C1	H4	118.709		H3	C1	H4	115.931

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B97D3/cc-pVTZ

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	-0.069
2	N	-0.223
3	H	0.057
4	H	0.098
5	H	0.137

	x	y	z	Total
	-1.298	1.337	0.000	1.863
CHELPG
AIM
ESP

	x	y	z
x	3.017	0.187	0.000
y	0.187	4.090	0.000
z	0.000	0.000	1.926

<r²>	19.637
(<r²>)^1/2	4.431

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)