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	hartrees
Energy at 0K	-17.291358
Energy at 298.15K
HF Energy	-17.291358
Nuclear repulsion energy	18.781396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3386	3279	20.64
2	A'	3180	3079	48.08
3	A'	3039	2943	79.85
4	A'	1647	1595	9.57
5	A'	1486	1439	6.12
6	A'	1337	1295	48.47
7	A'	1066	1032	49.21
8	A"	1157	1120	72.00
9	A"	1104	1069	26.00

Atom	x (Å)	y (Å)
C1	0.074	0.589
N2	0.074	-0.715
H3	-0.828	1.230
H4	1.043	1.108
H5	-0.883	-1.118

	C1	N2	H3	H4	H5
C1		1.3046	1.1071	1.0985	1.9578
N2	1.3046		2.1447	2.0646	1.0389
H3	1.1071	2.1447		1.8750	2.3491
H4	1.0985	2.0646	1.8750		2.9438
H5	1.9578	1.0389	2.3491	2.9438

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	112.825		N2	C1	H3	125.370
N2	C1	H4	118.181		H3	C1	H4	116.449

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3LYP/CEP-31G

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	-0.498
2	N	-0.075
3	H	0.175
4	H	0.197
5	H	0.200

	x	y	z	Total
	-1.747	1.701	0.000	2.438
CHELPG
AIM
ESP

	x	y	z
x	2.364	0.305	0.000
y	0.305	3.759	0.000
z	0.000	0.000	1.376

<r²>	18.453
(<r²>)^1/2	4.296

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)