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	hartrees
Energy at 0K	-94.598087
Energy at 298.15K
HF Energy	-94.598087
Nuclear repulsion energy	32.946997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3457	3323	1.12
2	A'	3127	3006	36.79
3	A'	3029	2912	45.46
4	A'	1733	1666	22.99
5	A'	1492	1435	4.53
6	A'	1364	1311	44.87
7	A'	1067	1026	37.09
8	A"	1173	1128	43.32
9	A"	1093	1051	12.05

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.683
H3	-0.839	1.219
H4	1.014	1.110
H5	-0.903	-1.040

	C1	N2	H3	H4	H5
C1		1.2657	1.0981	1.0939	1.8841
N2	1.2657		2.1025	2.0332	1.0228
H3	1.0981	2.1025		1.8560	2.2599
H4	1.0939	2.0332	1.8560		2.8801
H5	1.8841	1.0228	2.2599	2.8801

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.385		N2	C1	H3	125.456
N2	C1	H4	118.832		H3	C1	H4	115.712

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3PW91/6-31G(2df,p)

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	-0.186
2	N	-0.340
3	H	0.129
4	H	0.146
5	H	0.251

	x	y	z	Total
	-1.313	1.343	0.000	1.878
CHELPG
AIM
ESP

	x	y	z
x	2.708	0.272	0.000
y	0.272	3.677	-0.003
z	0.000	-0.003	1.534

<r²>	19.372
(<r²>)^1/2	4.401

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂NH (Methanimine)