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	hartrees
Energy at 0K	-94.589357
Energy at 298.15K
HF Energy	-94.465061
Nuclear repulsion energy	32.964054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3459	3459	1.02
2	A'	3154	3154	25.58
3	A'	3053	3053	45.86
4	A'	1689	1689	17.50
5	A'	1492	1492	7.27
6	A'	1374	1374	40.46
7	A'	1076	1076	35.71
8	A"	1165	1165	43.84
9	A"	1101	1101	15.39

Atom	x (Å)	y (Å)
C1	0.056	0.586
N2	0.056	-0.683
H3	-0.843	1.204
H4	1.009	1.108
H5	-0.897	-1.046

	C1	N2	H3	H4	H5
C1		1.2690	1.0909	1.0864	1.8892
N2	1.2690		2.0905	2.0289	1.0193
H3	1.0909	2.0905		1.8538	2.2505
H4	1.0864	2.0289	1.8538		2.8756
H5	1.8892	1.0193	2.2505	2.8756

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.826		N2	C1	H3	124.536
N2	C1	H4	118.736		H3	C1	H4	116.728

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B2PLYP/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	-0.957
2	N	-0.915
3	H	0.707
4	H	0.817
5	H	0.348

	x	y	z	Total
	-1.364	1.518	0.000	2.041
CHELPG
AIM
ESP

	x	y	z
x	3.285	0.101	0.000
y	0.101	4.333	0.000
z	0.000	0.000	2.578

<r²>	19.711
(<r²>)^1/2	4.440

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B2PLYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)