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	hartrees
Energy at 0K	-94.638729
Energy at 298.15K
HF Energy	-94.638729
Nuclear repulsion energy	32.866957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3408	3288	3.54
2	A'	3122	3013	39.39
3	A'	3022	2916	50.35
4	A'	1712	1652	21.00
5	A'	1499	1447	3.84
6	A'	1375	1327	43.46
7	A'	1066	1029	35.36
8	A"	1178	1136	42.50
9	A"	1091	1053	11.64

Atom	x (Å)	y (Å)
C1	0.056	0.585
N2	0.056	-0.686
H3	-0.837	1.223
H4	1.016	1.108
H5	-0.907	-1.038

	C1	N2	H3	H4	H5
C1		1.2706	1.0974	1.0927	1.8874
N2	1.2706		2.1071	2.0340	1.0257
H3	1.0974	2.1071		1.8560	2.2621
H4	1.0927	2.0340	1.8560		2.8813
H5	1.8874	1.0257	2.2621	2.8813

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.101		N2	C1	H3	125.543
N2	C1	H4	118.586		H3	C1	H4	115.872

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: TPSSh/6-31G(2df,p)

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	-0.178
2	N	-0.341
3	H	0.128
4	H	0.145
5	H	0.246

	x	y	z	Total
	-1.289	1.341	0.000	1.860
CHELPG
AIM
ESP

	x	y	z
x	2.738	0.270	0.000
y	0.270	3.701	0.000
z	0.000	0.000	1.535

<r²>	19.436
(<r²>)^1/2	4.409

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂NH (Methanimine)