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	hartrees
Energy at 0K	-94.673425
Energy at 298.15K
HF Energy	-94.673425
Nuclear repulsion energy	33.018198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3435	3306	0.89
2	A'	3111	2995	33.45
3	A'	3015	2902	50.52
4	A'	1713	1649	22.78
5	A'	1493	1437	6.88
6	A'	1370	1319	44.74
7	A'	1075	1035	37.62
8	A"	1166	1122	44.99
9	A"	1102	1061	16.03

Atom	x (Å)	y (Å)
C1	0.056	0.583
N2	0.056	-0.680
H3	-0.842	1.208
H4	1.010	1.110
H5	-0.895	-1.052

	C1	N2	H3	H4	H5
C1		1.2633	1.0941	1.0896	1.8910
N2	1.2633		2.0910	2.0284	1.0207
H3	1.0941	2.0910		1.8543	2.2604
H4	1.0896	2.0284	1.8543		2.8808
H5	1.8910	1.0207	2.2604	2.8808

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.338		N2	C1	H3	124.845
N2	C1	H4	118.915		H3	C1	H4	116.240

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3LYP/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	-0.104
2	N	-0.241
3	H	0.087
4	H	0.112
5	H	0.147

	x	y	z	Total
	-1.376	1.436	0.000	1.989
CHELPG
AIM
ESP

	x	y	z
x	2.986	0.181	0.000
y	0.181	4.157	0.000
z	0.000	0.000	2.085

<r²>	19.623
(<r²>)^1/2	4.430

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3LYP/Def2TZVPP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)