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	hartrees
Energy at 0K	-94.516993
Energy at 298.15K
HF Energy	-94.516993
Nuclear repulsion energy	32.843295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3445	3312	1.32
2	A'	3141	3020	36.91
3	A'	3036	2919	43.90
4	A'	1748	1681	25.03
5	A'	1477	1420	4.12
6	A'	1370	1317	44.01
7	A'	1066	1025	31.96
8	A"	1173	1128	43.88
9	A"	1089	1047	14.80

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.685
H3	-0.842	1.227
H4	1.024	1.109
H5	-0.913	-1.032

	C1	N2	H3	H4	H5
C1		1.2676	1.1060	1.1016	1.8825
N2	1.2676		2.1129	2.0386	1.0290
H3	1.1060	2.1129		1.8699	2.2597
H4	1.1016	2.0386	1.8699		2.8866
H5	1.8825	1.0290	2.2597	2.8866

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.670		N2	C1	H3	125.652
N2	C1	H4	118.562		H3	C1	H4	115.785

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBE1PBE/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	-0.007
2	N	-0.185
3	H	0.037
4	H	0.057
5	H	0.098

	x	y	z	Total
	-1.321	1.277	0.000	1.838
CHELPG
AIM
ESP

	x	y	z
x	2.629	0.261	0.000
y	0.261	3.696	0.000
z	0.000	0.000	1.363

<r²>	19.495
(<r²>)^1/2	4.415

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)