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	hartrees
Energy at 0K	-94.049639
Energy at 298.15K
HF Energy	-94.049639
Nuclear repulsion energy	33.412269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3728	3372	0.52
2	A'	3311	2995	49.57
3	A'	3215	2907	49.31
4	A'	1881	1701	37.87
5	A'	1619	1464	14.88
6	A'	1505	1361	45.68
7	A'	1169	1057	37.75
8	A"	1275	1153	60.87
9	A"	1215	1099	13.44

Atom	x (Å)	y (Å)
C1	0.055	0.576
N2	0.055	-0.673
H3	-0.839	1.190
H4	0.998	1.104
H5	-0.879	-1.039

	C1	N2	H3	H4	H5
C1		1.2480	1.0851	1.0807	1.8654
N2	1.2480		2.0661	2.0111	1.0034
H3	1.0851	2.0661		1.8390	2.2296
H4	1.0807	2.0111	1.8390		2.8487
H5	1.8654	1.0034	2.2296	2.8487

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.445		N2	C1	H3	124.489
N2	C1	H4	119.278		H3	C1	H4	116.233

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: HF/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	-0.194
2	N	-0.503
3	H	0.187
4	H	0.212
5	H	0.298

	x	y	z	Total
	-1.553	1.609	0.000	2.236
CHELPG
AIM
ESP	-1.546	1.595	0.000	2.221

	x	y	z
x	2.408	0.240	0.000
y	0.240	3.740	0.000
z	0.000	0.000	1.397

<r²>	19.234
(<r²>)^1/2	4.386

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)