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	hartrees
Energy at 0K	-94.097937
Energy at 298.15K
HF Energy	-94.097937
Nuclear repulsion energy	32.674745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3140	20.10
2	A'	3130	3020	37.55
3	A'	3016	2910	48.78
4	A'	1697	1637	7.76
5	A'	1532	1478	2.40
6	A'	1370	1322	65.57
7	A'	1098	1060	48.67
8	A"	1185	1143	51.89
9	A"	1111	1072	21.73

Atom	x (Å)	y (Å)
C1	0.055	0.590
N2	0.055	-0.687
H3	-0.826	1.244
H4	1.013	1.111
H5	-0.904	-1.088

	C1	N2	H3	H4	H5
C1		1.2773	1.0966	1.0898	1.9331
N2	1.2773		2.1220	2.0369	1.0396
H3	1.0966	2.1220		1.8429	2.3331
H4	1.0898	2.0369	1.8429		2.9169
H5	1.9331	1.0396	2.3331	2.9169

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	112.694		N2	C1	H3	126.571
N2	C1	H4	118.533		H3	C1	H4	114.896

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3LYPultrafine/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	-0.139
2	N	-0.481
3	H	0.165
4	H	0.199
5	H	0.257

	x	y	z	Total
	-1.516	1.231	0.000	1.953
CHELPG
AIM
ESP

	x	y	z
x	2.349	0.344	0.000
y	0.344	3.456	0.000
z	0.000	0.000	0.886

<r²>	19.700
(<r²>)^1/2	4.438

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3LYPultrafine/3-21G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)