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	hartrees
Energy at 0K	-94.076447
Energy at 298.15K
HF Energy	-94.076447
Nuclear repulsion energy	33.471136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3705	3366	2.96	98.12	0.28	0.44
2	A'	3282	2982	32.63	75.58	0.61	0.76
3	A'	3192	2900	43.30	104.60	0.13	0.23
4	A'	1863	1693	35.83	32.99	0.06	0.11
5	A'	1604	1457	17.41	19.13	0.23	0.38
6	A'	1480	1345	46.57	2.63	0.30	0.47
7	A'	1153	1047	38.25	2.35	0.22	0.36
8	A"	1253	1138	54.86	0.08	0.75	0.86
9	A"	1228	1116	14.63	0.74	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.055	0.575
N2	0.055	-0.670
H3	-0.841	1.182
H4	0.995	1.105
H5	-0.875	-1.044

	C1	N2	H3	H4	H5
C1		1.2455	1.0825	1.0789	1.8671
N2	1.2455		2.0580	2.0089	1.0024
H3	1.0825	2.0580		1.8377	2.2262
H4	1.0789	2.0089	1.8377		2.8487
H5	1.8671	1.0024	2.2262	2.8487

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.869		N2	C1	H3	124.106
N2	C1	H4	119.427		H3	C1	H4	116.467

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: HF/aug-cc-pVQZ

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	-0.597
2	N	-0.567
3	H	0.413
4	H	0.469
5	H	0.281

	x	y	z	Total
	-1.432	1.652	0.000	2.186
CHELPG
AIM
ESP

	x	y	z
x	2.984	0.139	0.000
y	0.139	4.166	0.000
z	0.000	0.000	2.445

<r²>	19.267
(<r²>)^1/2	4.389

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)