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	hartrees
Energy at 0K	-94.558409
Energy at 298.15K
HF Energy	-94.558409
Nuclear repulsion energy	33.060906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3474	3342	0.82
2	A'	3131	3011	27.82
3	A'	3034	2918	48.07
4	A'	1730	1664	23.77
5	A'	1488	1431	7.32
6	A'	1366	1314	41.62
7	A'	1070	1029	35.97
8	A"	1167	1123	43.61
9	A"	1103	1061	18.33

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.679
H3	-0.844	1.204
H4	1.011	1.108
H5	-0.895	-1.047

	C1	N2	H3	H4	H5
C1		1.2611	1.0946	1.0903	1.8857
N2	1.2611		2.0877	2.0262	1.0192
H3	1.0946	2.0877		1.8579	2.2515
H4	1.0903	2.0262	1.8579		2.8763
H5	1.8857	1.0192	2.2515	2.8763

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.125		N2	C1	H3	124.661
N2	C1	H4	118.840		H3	C1	H4	116.499

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: HSEh1PBE/aug-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	-0.457
2	N	-0.428
3	H	0.361
4	H	0.378
5	H	0.146

	x	y	z	Total
	-1.361	1.477	0.000	2.009
CHELPG
AIM
ESP

	x	y	z
x	3.261	0.108	0.000
y	0.108	4.326	0.000
z	0.000	0.000	2.530

<r²>	19.566
(<r²>)^1/2	4.423

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)