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	hartrees
Energy at 0K	-94.669401
Energy at 298.15K
HF Energy	-94.669401
Nuclear repulsion energy	33.020425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3427	3313	1.11
2	A'	3106	3002	36.59
3	A'	3011	2911	52.10
4	A'	1713	1656	21.60
5	A'	1493	1443	6.45
6	A'	1374	1328	46.92
7	A'	1076	1040	36.87
8	A"	1170	1131	45.35
9	A"	1101	1064	15.73

Atom	x (Å)	y (Å)
C1	0.056	0.583
N2	0.056	-0.681
H3	-0.841	1.209
H4	1.010	1.108
H5	-0.897	-1.047

	C1	N2	H3	H4	H5
C1		1.2634	1.0939	1.0896	1.8875
N2	1.2634		2.0919	2.0277	1.0211
H3	1.0939	2.0919		1.8538	2.2564
H4	1.0896	2.0277	1.8538		2.8779
H5	1.8875	1.0211	2.2564	2.8779

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.987		N2	C1	H3	124.947
N2	C1	H4	118.842		H3	C1	H4	116.211

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3LYPultrafine/cc-pVTZ

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	-0.083
2	N	-0.234
3	H	0.068
4	H	0.107
5	H	0.142

	x	y	z	Total
	-1.346	1.392	0.000	1.936
CHELPG
AIM
ESP

	x	y	z
x	2.916	0.199	0.000
y	0.199	4.004	0.000
z	0.000	0.000	1.898

<r²>	19.552
(<r²>)^1/2	4.422

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)