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	hartrees
Energy at 0K	-94.633177
Energy at 298.15K
HF Energy	-94.633177
Nuclear repulsion energy	32.765261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3384	3282	3.98
2	A'	3105	3012	41.68
3	A'	3003	2913	49.63
4	A'	1718	1666	24.14
5	A'	1475	1430	4.01
6	A'	1369	1328	45.56
7	A'	1067	1035	31.14
8	A"	1166	1131	41.23
9	A"	1081	1049	13.07

Atom	x (Å)	y (Å)
C1	0.056	0.584
N2	0.056	-0.687
H3	-0.842	1.230
H4	1.024	1.112
H5	-0.913	-1.039

	C1	N2	H3	H4	H5
C1		1.2711	1.1069	1.1023	1.8909
N2	1.2711		2.1175	2.0426	1.0315
H3	1.1069	2.1175		1.8702	2.2708
H4	1.1023	2.0426	1.8702		2.8949
H5	1.8909	1.0315	2.2708	2.8949

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.972		N2	C1	H3	125.723
N2	C1	H4	118.599		H3	C1	H4	115.679

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3LYPultrafine/cc-pVDZ

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	0.020
2	N	-0.155
3	H	0.015
4	H	0.035
5	H	0.085

	x	y	z	Total
	-1.293	1.225	0.000	1.781
CHELPG
AIM
ESP

	x	y	z
x	2.664	0.276	0.000
y	0.276	3.727	0.000
z	0.000	0.000	1.357

<r²>	19.592
(<r²>)^1/2	4.426

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)