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	hartrees
Energy at 0K	-94.593281
Energy at 298.15K
HF Energy	-94.462709
Nuclear repulsion energy	33.006988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3463	3308	0.64
2	A'	3151	3011	32.13
3	A'	3057	2920	47.07
4	A'	1701	1625	16.24
5	A'	1500	1434	6.13
6	A'	1383	1322	44.79
7	A'	1082	1033	37.54
8	A"	1177	1125	46.69
9	A"	1109	1060	13.89

Atom	x (Å)	y (Å)
C1	0.056	0.584
N2	0.056	-0.683
H3	-0.839	1.207
H4	1.008	1.106
H5	-0.898	-1.040

	C1	N2	H3	H4	H5
C1		1.2670	1.0899	1.0857	1.8834
N2	1.2670		2.0904	2.0265	1.0187
H3	1.0899	2.0904		1.8496	2.2468
H4	1.0857	2.0265	1.8496		2.8702
H5	1.8834	1.0187	2.2468	2.8702

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.502		N2	C1	H3	124.813
N2	C1	H4	118.730		H3	C1	H4	116.456

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B2PLYP=FULLultrafine/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	-0.109
2	N	-0.242
3	H	0.080
4	H	0.120
5	H	0.151

	x	y	z	Total
	-1.355	1.419	0.000	1.962
CHELPG
AIM
ESP

	x	y	z
x	2.869	0.191	0.000
y	0.191	3.937	0.000
z	0.000	0.000	1.887

<r²>	19.555
(<r²>)^1/2	4.422

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)