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	hartrees
Energy at 0K	-94.671009
Energy at 298.15K
HF Energy	-94.671009
Nuclear repulsion energy	32.943149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3411	3292	1.68
2	A'	3112	3004	30.81
3	A'	3013	2908	53.58
4	A'	1699	1640	20.69
5	A'	1491	1439	6.35
6	A'	1371	1323	40.39
7	A'	1065	1028	35.37
8	A"	1166	1125	43.17
9	A"	1095	1056	17.21

Atom	x (Å)	y (Å)
C1	0.056	0.585
N2	0.056	-0.683
H3	-0.843	1.210
H4	1.013	1.108
H5	-0.900	-1.048

	C1	N2	H3	H4	H5
C1		1.2674	1.0950	1.0902	1.8916
N2	1.2674		2.0952	2.0298	1.0230
H3	1.0950	2.0952		1.8585	2.2582
H4	1.0902	2.0298	1.8585		2.8814
H5	1.8916	1.0230	2.2582	2.8814

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.908		N2	C1	H3	124.806
N2	C1	H4	118.663		H3	C1	H4	116.531

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: TPSSh/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	-0.192
2	N	-0.447
3	H	0.250
4	H	0.252
5	H	0.136

	x	y	z	Total
	-1.338	1.467	0.000	1.986
CHELPG
AIM
ESP

	x	y	z
x	3.315	0.108	0.000
y	0.108	4.383	0.000
z	0.000	0.000	2.545

<r²>	19.647
(<r²>)^1/2	4.433

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)