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	hartrees
Energy at 0K	-94.525884
Energy at 298.15K
HF Energy	-94.525884
Nuclear repulsion energy	32.702207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3282	10.86
2	A'	3033	3001	47.76
3	A'	2923	2893	72.73
4	A'	1671	1654	20.93
5	A'	1463	1448	3.51
6	A'	1352	1338	43.09
7	A'	1059	1048	35.03
8	A"	1150	1138	50.91
9	A"	1047	1036	16.82

Atom	x (Å)	y (Å)
C1	0.056	0.586
N2	0.056	-0.688
H3	-0.841	1.236
H4	1.025	1.110
H5	-0.914	-1.043

	C1	N2	H3	H4	H5
C1		1.2746	1.1078	1.1014	1.8960
N2	1.2746		2.1233	2.0426	1.0331
H3	1.1078	2.1233		1.8707	2.2798
H4	1.1014	2.0426	1.8707		2.8973
H5	1.8960	1.0331	2.2798	2.8973

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.057		N2	C1	H3	125.910
N2	C1	H4	118.374		H3	C1	H4	115.716

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBE/6-311G*

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	-0.257
2	N	-0.405
3	H	0.180
4	H	0.208
5	H	0.274

	x	y	z	Total
	-1.409	1.321	0.000	1.931
CHELPG
AIM
ESP

	x	y	z
x	2.751	0.213	0.000
y	0.213	3.887	0.000
z	0.000	0.000	1.465

<r²>	19.764
(<r²>)^1/2	4.446

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)