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	hartrees
Energy at 0K	-94.575707
Energy at 298.15K
HF Energy	-94.575707
Nuclear repulsion energy	32.600817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	3274	7.89
2	A'	3045	3019	48.58
3	A'	2935	2910	65.39
4	A'	1669	1655	22.59
5	A'	1447	1434	2.01
6	A'	1346	1334	43.55
7	A'	1047	1038	29.40
8	A"	1143	1133	39.18
9	A"	1049	1040	12.07

Atom	x (Å)	y (Å)
C1	0.056	0.587
N2	0.056	-0.692
H3	-0.842	1.243
H4	1.030	1.113
H5	-0.921	-1.035

	C1	N2	H3	H4	H5
C1		1.2782	1.1123	1.1068	1.8940
N2	1.2782		2.1326	2.0503	1.0365
H3	1.1123	2.1326		1.8767	2.2793
H4	1.1068	2.0503	1.8767		2.9023
H5	1.8940	1.0365	2.2793	2.9023

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.370		N2	C1	H3	126.131
N2	C1	H4	118.372		H3	C1	H4	115.497

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B97D3/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	0.025
2	N	-0.157
3	H	0.013
4	H	0.035
5	H	0.083

	x	y	z	Total
	-1.245	1.198	0.000	1.728
CHELPG
AIM
ESP

	x	y	z
x	2.736	0.261	0.000
y	0.261	3.790	0.000
z	0.000	0.000	1.375

<r²>	19.686
(<r²>)^1/2	4.437

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B97D3/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)