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	hartrees
Energy at 0K	-94.607050
Energy at 298.15K
HF Energy	-94.607050
Nuclear repulsion energy	32.815698

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3344	3296	5.67
2	A'	3053	3009	43.26
3	A'	2944	2901	66.30
4	A'	1666	1642	21.07
5	A'	1471	1450	4.26
6	A'	1348	1329	37.00
7	A'	1059	1043	35.72
8	A"	1147	1130	48.20
9	A"	1079	1063	14.45

Atom	x (Å)	y (Å)
C1	0.056	0.586
N2	0.056	-0.686
H3	-0.842	1.224
H4	1.018	1.109
H5	-0.906	-1.047

	C1	N2	H3	H4	H5
C1		1.2715	1.1017	1.0955	1.8946
N2	1.2715		2.1105	2.0369	1.0273
H3	1.1017	2.1105		1.8634	2.2718
H4	1.0955	2.0369	1.8634		2.8898
H5	1.8946	1.0273	2.2718	2.8898

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.563		N2	C1	H3	125.428
N2	C1	H4	118.565		H3	C1	H4	116.007

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B97D3/TZVP

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	-0.139
2	N	-0.239
3	H	0.085
4	H	0.120
5	H	0.173

	x	y	z	Total
	-1.438	1.411	0.000	2.015
CHELPG
AIM
ESP

	x	y	z
x	2.918	0.177	0.000
y	0.177	4.212	0.000
z	0.000	0.000	1.822

<r²>	19.741
(<r²>)^1/2	4.443

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)