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	hartrees
Energy at 0K	-94.633083
Energy at 298.15K
HF Energy	-94.633083
Nuclear repulsion energy	33.075730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3488	3488	1.00
2	A'	3143	3143	27.58
3	A'	3044	3044	45.45
4	A'	1733	1733	24.47
5	A'	1496	1496	7.98
6	A'	1374	1374	40.72
7	A'	1082	1082	35.95
8	A"	1172	1172	43.80
9	A"	1114	1114	18.95

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.679
H3	-0.845	1.201
H4	1.010	1.107
H5	-0.894	-1.046

	C1	N2	H3	H4	H5
C1		1.2612	1.0930	1.0887	1.8849
N2	1.2612		2.0847	2.0252	1.0184
H3	1.0930	2.0847		1.8569	2.2473
H4	1.0887	2.0252	1.8569		2.8742
H5	1.8849	1.0184	2.2473	2.8742

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.106		N2	C1	H3	124.481
N2	C1	H4	118.856		H3	C1	H4	116.664

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: wB97X-D/daug-cc-pVTZ

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	-0.880
2	N	-1.085
3	H	0.728
4	H	0.851
5	H	0.386

	x	y	z	Total
	-1.384	1.515	0.000	2.052
CHELPG
AIM
ESP

	x	y	z
x	3.260	0.103	0.000
y	0.103	4.315	0.000
z	0.000	0.000	2.568

<r²>	19.511
(<r²>)^1/2	4.417

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: wB97X-D/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)