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	hartrees
Energy at 0K	-94.516018
Energy at 298.15K
HF Energy	-94.516018
Nuclear repulsion energy	32.597295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3349	3311	3.31
2	A'	3066	3031	31.97
3	A'	2950	2916	59.59
4	A'	1666	1647	23.27
5	A'	1453	1436	3.23
6	A'	1325	1310	30.12
7	A'	1036	1024	35.55
8	A"	1129	1117	52.92
9	A"	1052	1040	18.73

Atom	x (Å)	y (Å)
C1	0.057	0.590
N2	0.057	-0.691
H3	-0.846	1.232
H4	1.025	1.115
H5	-0.914	-1.048

	C1	N2	H3	H4	H5
C1		1.2811	1.1078	1.1013	1.9034
N2	1.2811		2.1245	2.0493	1.0337
H3	1.1078	2.1245		1.8745	2.2805
H4	1.1013	2.0493	1.8745		2.9042
H5	1.9034	1.0337	2.2805	2.9042

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.171		N2	C1	H3	125.419
N2	C1	H4	118.478		H3	C1	H4	116.103

All results from a given calculation for CH₂NH (Methanimine)

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

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	-0.214
2	N	-0.331
3	H	0.135
4	H	0.155
5	H	0.255

	x	y	z	Total
	-1.526	1.508	0.000	2.145
CHELPG
AIM
ESP

	x	y	z
x	2.940	0.080	0.000
y	0.080	4.315	0.000
z	0.000	0.000	1.978

<r²>	20.030
(<r²>)^1/2	4.475

All results from a given calculation for CH2NH (Methanimine)

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

States and conformations

All results from a given calculation for CH₂NH (Methanimine)