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	hartrees
Energy at 0K	-94.521873
Energy at 298.15K
HF Energy	-94.521873
Nuclear repulsion energy	32.559610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3310	2.94
2	A'	3054	3035	30.41
3	A'	2943	2925	57.13
4	A'	1652	1642	19.50
5	A'	1431	1423	4.10
6	A'	1320	1311	38.01
7	A'	1034	1028	31.47
8	A"	1125	1118	44.06
9	A"	1052	1046	16.37

Atom	x (Å)	y (Å)
C1	0.057	0.590
N2	0.057	-0.691
H3	-0.853	1.229
H4	1.029	1.117
H5	-0.915	-1.049

	C1	N2	H3	H4	H5
C1		1.2815	1.1111	1.1058	1.9055
N2	1.2815		2.1243	2.0531	1.0352
H3	1.1111	2.1243		1.8851	2.2783
H4	1.1058	2.0531	1.8851		2.9102
H5	1.9055	1.0352	2.2783	2.9102

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.218		N2	C1	H3	125.059
N2	C1	H4	118.445		H3	C1	H4	116.495

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBE/aug-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	0.689
2	N	-0.202
3	H	-0.201
4	H	-0.278
5	H	-0.008

	x	y	z	Total
	-1.324	1.439	0.000	1.955
CHELPG
AIM
ESP

	x	y	z
x	3.456	0.087	0.000
y	0.087	4.561	0.000
z	0.000	0.000	2.585

<r²>	20.051
(<r²>)^1/2	4.478

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)