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	hartrees
Energy at 0K	-94.611074
Energy at 298.15K
HF Energy	-94.611074
Nuclear repulsion energy	32.973858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A"	1091	1050	16.56
2	A'	1089	1048	36.52
3	A'	3442	3314	4.90
4	A'	3122	3006	45.42
5	A'	3017	2904	60.97
6	A'	1733	1668	24.29
7	A'	1506	1450	5.91
8	A'	1390	1338	43.20
9	A"	1183	1139	53.68

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.682
H3	-0.839	1.219
H4	1.015	1.106
H5	-0.902	-1.041

	C1	N2	H3	H4	H5
C1		1.2642	1.0986	1.0931	1.8846
N2	1.2642		2.1011	2.0293	1.0226
H3	1.0986	2.1011		1.8579	2.2609
H4	1.0931	2.0293	1.8579		2.8783
H5	1.8846	1.0226	2.2609	2.8783

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.561		N2	C1	H3	125.419
N2	C1	H4	118.649		H3	C1	H4	115.932

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3PW91/6-311G*

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	-0.249
2	N	-0.438
3	H	0.188
4	H	0.215
5	H	0.284

	x	y	z	Total
	-1.467	1.414	0.000	2.038
CHELPG
AIM
ESP

	x	y	z
x	2.611	0.215	-0.000
y	0.215	3.782	0.001
z	-0.000	0.001	1.447

<r²>	19.494
(<r²>)^1/2	4.415

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)