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	hartrees
Energy at 0K	-94.672125
Energy at 298.15K
HF Energy	-94.672125
Nuclear repulsion energy	33.014828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3432	3432	0.98
2	A'	3109	3109	29.21
3	A'	3014	3014	51.12
4	A'	1708	1708	23.00
5	A'	1490	1490	7.66
6	A'	1367	1367	42.15
7	A'	1073	1073	35.71
8	A"	1162	1162	43.47
9	A"	1101	1101	16.81

Atom	x (Å)	y (Å)
C1	0.056	0.583
N2	0.056	-0.680
H3	-0.843	1.206
H4	1.009	1.110
H5	-0.894	-1.053

	C1	N2	H3	H4	H5
C1		1.2638	1.0936	1.0891	1.8924
N2	1.2638		2.0897	2.0286	1.0204
H3	1.0936	2.0897		1.8547	2.2599
H4	1.0891	2.0286	1.8547		2.8815
H5	1.8924	1.0204	2.2599	2.8815

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.440		N2	C1	H3	124.702
N2	C1	H4	118.935		H3	C1	H4	116.363

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3LYPultrafine/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	-0.761
2	N	-0.873
3	H	0.623
4	H	0.721
5	H	0.290

	x	y	z	Total
	-1.358	1.484	0.000	2.012
CHELPG
AIM
ESP

	x	y	z
x	3.326	0.105	0.000
y	0.105	4.400	0.000
z	0.000	0.000	2.589

<r²>	19.680
(<r²>)^1/2	4.436

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3LYPultrafine/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)