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	hartrees
Energy at 0K	-94.676579
Energy at 298.15K
HF Energy	-94.676579
Nuclear repulsion energy	32.966285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3406	3406	1.81
2	A'	3108	3108	34.81
3	A'	3009	3009	54.37
4	A'	1702	1702	19.94
5	A'	1494	1494	5.78
6	A'	1374	1374	42.51
7	A'	1067	1067	36.84
8	A"	1170	1170	44.67
9	A"	1099	1099	15.05

Atom	x (Å)	y (Å)
C1	0.056	0.584
N2	0.056	-0.682
H3	-0.841	1.211
H4	1.012	1.107
H5	-0.900	-1.046

	C1	N2	H3	H4	H5
C1		1.2663	1.0945	1.0897	1.8893
N2	1.2663		2.0949	2.0285	1.0228
H3	1.0945	2.0949		1.8564	2.2571
H4	1.0897	2.0285	1.8564		2.8791
H5	1.8893	1.0228	2.2571	2.8791

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.806		N2	C1	H3	124.932
N2	C1	H4	118.666		H3	C1	H4	116.402

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: TPSSh/cc-pVQZ

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	-0.182
2	N	-0.334
3	H	0.131
4	H	0.191
5	H	0.194

	x	y	z	Total
	-1.332	1.427	0.000	1.952
CHELPG
AIM
ESP

	x	y	z
x	3.094	0.157	0.000
y	0.157	4.172	0.000
z	0.000	0.000	2.190

<r²>	19.567
(<r²>)^1/2	4.423

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: TPSSh/cc-pVQZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)