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	hartrees
Energy at 0K	-94.520449
Energy at 298.15K
HF Energy	-94.421941
Nuclear repulsion energy	32.826644

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'	3443	3266	5.17	112.32	0.31	0.48
2	A'	3195	3031	38.60	87.26	0.53	0.70
3	A'	3087	2929	45.70	104.26	0.20	0.34
4	A'	1725	1636	19.67	1.91	0.03	0.06
5	A'	1524	1446	4.66	19.76	0.41	0.58
6	A'	1403	1331	43.78	5.58	0.71	0.83
7	A'	1092	1036	37.68	3.93	0.49	0.66
8	A"	1185	1124	51.85	0.12	0.75	0.86
9	A"	1100	1043	10.95	0.59	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.056	0.587
N2	0.056	-0.688
H3	-0.835	1.224
H4	1.013	1.109
H5	-0.906	-1.040

	C1	N2	H3	H4	H5
C1		1.2742	1.0955	1.0901	1.8901
N2	1.2742		2.1088	2.0353	1.0250
H3	1.0955	2.1088		1.8518	2.2647
H4	1.0901	2.0353	1.8518		2.8812
H5	1.8901	1.0250	2.2647	2.8812

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.107		N2	C1	H3	125.550
N2	C1	H4	118.612		H3	C1	H4	115.838

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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	-0.126
2	N	-0.473
3	H	0.138
4	H	0.161
5	H	0.300

	x	y	z	Total
	-1.447	1.414	0.000	2.023
CHELPG
AIM
ESP

	x	y	z
x	2.551	0.268	0.000
y	0.268	3.602	0.000
z	0.000	0.000	1.147

<r²>	19.579
(<r²>)^1/2	4.425

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)