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	hartrees
Energy at 0K	-94.634876
Energy at 298.15K
HF Energy	-94.634876
Nuclear repulsion energy	33.078032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3495	3339	0.45
2	A'	3146	3005	29.63
3	A'	3045	2909	43.45
4	A'	1739	1661	24.32
5	A'	1498	1431	7.32
6	A'	1377	1315	43.16
7	A'	1085	1036	37.49
8	A"	1176	1123	45.05
9	A"	1113	1063	18.10

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.679
H3	-0.844	1.202
H4	1.010	1.107
H5	-0.894	-1.046

	C1	N2	H3	H4	H5
C1		1.2608	1.0936	1.0893	1.8843
N2	1.2608		2.0858	2.0252	1.0183
H3	1.0936	2.0858		1.8570	2.2484
H4	1.0893	2.0252	1.8570		2.8742
H5	1.8843	1.0183	2.2484	2.8742

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.091		N2	C1	H3	124.578
N2	C1	H4	118.847		H3	C1	H4	116.575

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: wB97X-D/Def2TZVPP

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	-0.068
2	N	-0.255
3	H	0.085
4	H	0.104
5	H	0.134

	x	y	z	Total
	-1.407	1.480	0.000	2.042
CHELPG
AIM
ESP

	x	y	z
x	2.933	0.171	0.000
y	0.171	4.108	0.000
z	0.000	0.000	2.081

<r²>	19.468
(<r²>)^1/2	4.412

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)