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	hartrees
Energy at 0K	-94.100892
Energy at 298.15K
HF Energy	-94.100892
Nuclear repulsion energy	32.559341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3129	23.00
2	A'	3128	3021	38.15
3	A'	3006	2903	55.36
4	A'	1678	1620	6.24
5	A'	1520	1468	0.91
6	A'	1372	1325	62.85
7	A'	1090	1053	47.23
8	A"	1187	1147	55.10
9	A"	1102	1064	23.52

Atom	x (Å)	y (Å)
C1	0.055	0.593
N2	0.055	-0.691
H3	-0.825	1.249
H4	1.016	1.109
H5	-0.911	-1.083

	C1	N2	H3	H4	H5
C1		1.2838	1.0979	1.0902	1.9347
N2	1.2838		2.1298	2.0400	1.0429
H3	1.0979	2.1298		1.8464	2.3331
H4	1.0902	2.0400	1.8464		2.9185
H5	1.9347	1.0429	2.3331	2.9185

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	112.100		N2	C1	H3	126.650
N2	C1	H4	118.250		H3	C1	H4	115.100

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: TPSSh/3-21G*

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	-0.163
2	N	-0.494
3	H	0.178
4	H	0.214
5	H	0.264

	x	y	z	Total
	-1.511	1.277	0.000	1.978
CHELPG
AIM
ESP

	x	y	z
x	2.384	0.337	0.000
y	0.337	3.489	0.000
z	0.000	0.000	0.893

<r²>	19.778
(<r²>)^1/2	4.447

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: TPSSh/3-21G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)