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	hartrees
Energy at 0K	-94.612484
Energy at 298.15K
HF Energy	-94.612484
Nuclear repulsion energy	32.847162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3310	3.54
2	A'	3048	3006	40.89
3	A'	2946	2906	64.43
4	A'	1665	1642	20.68
5	A'	1461	1441	4.32
6	A'	1345	1327	43.41
7	A'	1054	1040	35.59
8	A"	1143	1127	42.39
9	A"	1068	1053	15.12

Atom	x (Å)	y (Å)
C1	0.056	0.585
N2	0.056	-0.685
H3	-0.843	1.220
H4	1.017	1.111
H5	-0.903	-1.048

	C1	N2	H3	H4	H5
C1		1.2703	1.1004	1.0951	1.8941
N2	1.2703		2.1062	2.0370	1.0257
H3	1.1004	2.1062		1.8628	2.2684
H4	1.0951	2.0370	1.8628		2.8893
H5	1.8941	1.0257	2.2684	2.8893

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.723		N2	C1	H3	125.205
N2	C1	H4	118.708		H3	C1	H4	116.087

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B97D3/Def2TZVPP

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	-0.055
2	N	-0.253
3	H	0.067
4	H	0.091
5	H	0.150

	x	y	z	Total
	-1.328	1.380	0.000	1.915
CHELPG
AIM
ESP

	x	y	z
x	3.086	0.168	0.000
y	0.168	4.239	0.000
z	0.000	0.000	2.110

<r²>	19.697
(<r²>)^1/2	4.438

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B97D3/Def2TZVPP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)