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	hartrees
Energy at 0K	-94.542933
Energy at 298.15K
HF Energy	-94.542933
Nuclear repulsion energy	32.755566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3307	3.11
2	A'	3026	3005	38.28
3	A'	2928	2908	60.17
4	A'	1660	1648	19.02
5	A'	1443	1433	3.70
6	A'	1329	1320	44.75
7	A'	1039	1031	35.54
8	A"	1137	1130	42.83
9	A"	1054	1047	15.83

Atom	x (Å)	y (Å)
C1	0.056	0.586
N2	0.056	-0.687
H3	-0.844	1.226
H4	1.022	1.112
H5	-0.911	-1.045

	C1	N2	H3	H4	H5
C1		1.2730	1.1043	1.0994	1.8959
N2	1.2730		2.1140	2.0415	1.0309
H3	1.1043	2.1140		1.8690	2.2717
H4	1.0994	2.0415	1.8690		2.8957
H5	1.8959	1.0309	2.2717	2.8957

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.308		N2	C1	H3	125.411
N2	C1	H4	118.573		H3	C1	H4	116.016

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBEultrafine/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	-0.089
2	N	-0.212
3	H	0.061
4	H	0.103
5	H	0.137

	x	y	z	Total
	-1.301	1.317	0.000	1.851
CHELPG
AIM
ESP

	x	y	z
x	3.049	0.192	0.000
y	0.192	4.102	0.000
z	0.000	0.000	1.931

<r²>	19.749
(<r²>)^1/2	4.444

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)