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	hartrees
Energy at 0K	-94.598950
Energy at 298.15K
HF Energy	-94.598950
Nuclear repulsion energy	32.836925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3459	3295	1.03
2	A'	3146	2996	36.10
3	A'	3037	2893	41.94
4	A'	1747	1665	24.80
5	A'	1485	1414	4.65
6	A'	1378	1313	43.95
7	A'	1080	1029	31.45
8	A"	1175	1119	43.86
9	A"	1095	1043	15.37

Atom	x (Å)	y (Å)
C1	0.056	0.583
N2	0.056	-0.685
H3	-0.845	1.222
H4	1.023	1.110
H5	-0.912	-1.033

	C1	N2	H3	H4	H5
C1		1.2687	1.1049	1.1005	1.8840
N2	1.2687		2.1100	2.0386	1.0286
H3	1.1049	2.1100		1.8712	2.2564
H4	1.1005	2.0386	1.8712		2.8868
H5	1.8840	1.0286	2.2564	2.8868

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.751		N2	C1	H3	125.342
N2	C1	H4	118.569		H3	C1	H4	116.089

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: wB97X-D/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	-0.009
2	N	-0.187
3	H	0.037
4	H	0.057
5	H	0.102

	x	y	z	Total
	-1.342	1.326	0.000	1.887
CHELPG
AIM
ESP

	x	y	z
x	2.597	0.265	0.000
y	0.265	3.684	0.000
z	0.000	0.000	1.360

<r²>	19.472
(<r²>)^1/2	4.413

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)