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	hartrees
Energy at 0K	-94.546834
Energy at 298.15K
HF Energy	-94.440823
Nuclear repulsion energy	32.728303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3450	3450	1.23
2	A'	3168	3168	27.01
3	A'	3056	3056	45.91
4	A'	1682	1682	17.47
5	A'	1482	1482	6.52
6	A'	1371	1371	39.06
7	A'	1072	1072	33.36
8	A"	1157	1157	47.52
9	A"	1098	1098	12.37

Atom	x (Å)	y (Å)
C1	0.057	0.590
N2	0.057	-0.689
H3	-0.849	1.213
H4	1.018	1.115
H5	-0.905	-1.044

	C1	N2	H3	H4	H5
C1		1.2785	1.0997	1.0952	1.8959
N2	1.2785		2.1066	2.0435	1.0254
H3	1.0997	2.1066		1.8699	2.2578
H4	1.0952	2.0435	1.8699		2.8910
H5	1.8959	1.0254	2.2578	2.8910

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.269		N2	C1	H3	124.525
N2	C1	H4	118.632		H3	C1	H4	116.843

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B2PLYP/daug-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	0.906
2	N	0.173
3	H	-0.548
4	H	-0.476
5	H	-0.055

	x	y	z	Total
	-1.361	1.538	0.000	2.054
CHELPG
AIM
ESP

	x	y	z
x	3.338	0.104	0.000
y	0.104	4.396	0.000
z	0.000	0.000	2.605

<r²>	19.931
(<r²>)^1/2	4.464

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B2PLYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)