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	hartrees
Energy at 0K	-94.509615
Energy at 298.15K
HF Energy	-94.509615
Nuclear repulsion energy	32.533148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3272	6.64
2	A'	3029	3012	41.74
3	A'	2921	2904	58.06
4	A'	1668	1659	21.40
5	A'	1429	1421	1.89
6	A'	1326	1318	42.36
7	A'	1030	1024	30.47
8	A"	1134	1127	39.08
9	A"	1039	1033	13.85

Atom	x (Å)	y (Å)
C1	0.057	0.587
N2	0.057	-0.693
H3	-0.843	1.248
H4	1.035	1.113
H5	-0.926	-1.035

	C1	N2	H3	H4	H5
C1		1.2798	1.1163	1.1108	1.8963
N2	1.2798		2.1389	2.0537	1.0405
H3	1.1163	2.1389		1.8832	2.2838
H4	1.1108	2.0537	1.8832		2.9083
H5	1.8963	1.0405	2.2838	2.9083

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.188		N2	C1	H3	126.274
N2	C1	H4	118.257		H3	C1	H4	115.470

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBE/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	-0.008
2	N	-0.150
3	H	0.024
4	H	0.045
5	H	0.088

	x	y	z	Total
	-1.250	1.163	0.000	1.708
CHELPG
AIM
ESP

	x	y	z
x	2.772	0.263	0.000
y	0.263	3.799	0.000
z	0.000	0.000	1.380

<r²>	19.770
(<r²>)^1/2	4.446

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)