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	hartrees
Energy at 0K	-94.611119
Energy at 298.15K
HF Energy	-94.611119
Nuclear repulsion energy	32.842478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3354	3354	2.87
2	A'	3049	3049	36.84
3	A'	2948	2948	65.99
4	A'	1659	1659	21.04
5	A'	1458	1458	4.95
6	A'	1342	1342	40.69
7	A'	1052	1052	33.67
8	A"	1139	1139	41.02
9	A"	1066	1066	16.29

Atom	x (Å)	y (Å)
C1	0.056	0.586
N2	0.056	-0.685
H3	-0.844	1.217
H4	1.016	1.112
H5	-0.902	-1.050

	C1	N2	H3	H4	H5
C1		1.2708	1.0999	1.0946	1.8955
N2	1.2708		2.1048	2.0373	1.0253
H3	1.0999	2.1048		1.8633	2.2677
H4	1.0946	2.0373	1.8633		2.8900
H5	1.8955	1.0253	2.2677	2.8900

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.825		N2	C1	H3	125.044
N2	C1	H4	118.736		H3	C1	H4	116.220

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B97D3/daug-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	-0.334
2	N	-0.954
3	H	0.502
4	H	0.525
5	H	0.261

	x	y	z	Total
	-1.314	1.432	0.000	1.944
CHELPG
AIM
ESP

	x	y	z
x	3.449	0.085	0.000
y	0.085	4.513	0.000
z	0.000	0.000	2.639

<r²>	19.768
(<r²>)^1/2	4.446

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B97D3/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)