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	hartrees
Energy at 0K	-94.508795
Energy at 298.15K
HF Energy	-94.508795
Nuclear repulsion energy	32.619248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3332	3287	8.19
2	A'	3054	3012	41.46
3	A'	2946	2906	55.39
4	A'	1680	1657	20.91
5	A'	1463	1443	2.57
6	A'	1337	1318	41.03
7	A'	1044	1030	35.69
8	A"	1140	1124	46.18
9	A"	1051	1036	13.07

Atom	x (Å)	y (Å)
C1	0.056	0.588
N2	0.056	-0.692
H3	-0.839	1.241
H4	1.026	1.113
H5	-0.919	-1.039

	C1	N2	H3	H4	H5
C1		1.2792	1.1082	1.1025	1.8962
N2	1.2792		2.1298	2.0481	1.0349
H3	1.1082	2.1298		1.8690	2.2812
H4	1.1025	2.0481	1.8690		2.8998
H5	1.8962	1.0349	2.2812	2.8998

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.606		N2	C1	H3	126.129
N2	C1	H4	118.431		H3	C1	H4	115.440

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBE/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	-0.055
2	N	-0.409
3	H	0.102
4	H	0.126
5	H	0.236

	x	y	z	Total
	-1.358	1.292	0.000	1.874
CHELPG
AIM
ESP

	x	y	z
x	2.719	0.273	0.000
y	0.273	3.754	0.000
z	0.000	0.000	1.223

<r²>	19.694
(<r²>)^1/2	4.438

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for CH₂NH (Methanimine)