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	hartrees
Energy at 0K	-93.375595
Energy at 298.15K
HF Energy	-93.375595
Nuclear repulsion energy	31.732441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3377	3377	15.19
2	A'	3307	3307	20.01
3	A'	3200	3200	0.64
4	A'	1709	1709	4.35
5	A'	1521	1521	1.41
6	A'	1451	1451	21.73
7	A'	1084	1084	16.01
8	A"	1199	1199	21.61
9	A"	1021	1021	11.89

Atom	x (Å)	y (Å)
C1	0.060	0.604
N2	0.060	-0.718
H3	-0.831	1.277
H4	1.042	1.124
H5	-0.991	-1.002

	C1	N2	H3	H4	H5
C1		1.3220	1.1162	1.1114	1.9196
N2	1.3220		2.1847	2.0872	1.0891
H3	1.1162	2.1847		1.8792	2.2848
H4	1.1114	2.0872	1.8792		2.9418
H5	1.9196	1.0891	2.2848	2.9418

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	105.119		N2	C1	H3	127.084
N2	C1	H4	117.868		H3	C1	H4	115.049

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B97D3/STO-3G

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	-0.051
2	N	-0.251
3	H	0.070
4	H	0.082
5	H	0.149

	x	y	z	Total
	-1.271	1.181	0.000	1.735
CHELPG
AIM
ESP

	x	y	z
x	1.477	0.365	0.000
y	0.365	2.149	0.000
z	0.000	0.000	0.465

<r²>	19.800
(<r²>)^1/2	4.450

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B97D3/STO-3G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)