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	hartrees
Energy at 0K	-94.509619
Energy at 298.15K
HF Energy	-94.509619
Nuclear repulsion energy	32.527673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3271	6.68
2	A'	3032	3014	41.50
3	A'	2923	2906	57.71
4	A'	1667	1657	21.36
5	A'	1429	1420	1.90
6	A'	1326	1319	42.65
7	A'	1031	1025	30.19
8	A"	1135	1128	39.33
9	A"	1038	1032	13.68

Atom	x (Å)	y (Å)
C1	0.057	0.587
N2	0.057	-0.693
H3	-0.844	1.247
H4	1.035	1.113
H5	-0.926	-1.036

	C1	N2	H3	H4	H5
C1		1.2802	1.1159	1.1106	1.8975
N2	1.2802		2.1385	2.0537	1.0407
H3	1.1159	2.1385		1.8834	2.2844
H4	1.1106	2.0537	1.8834		2.9091
H5	1.8975	1.0407	2.2844	2.9091

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.249		N2	C1	H3	126.231
N2	C1	H4	118.237		H3	C1	H4	115.533

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBEultrafine/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	-0.007
2	N	-0.150
3	H	0.024
4	H	0.046
5	H	0.088

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

	x	y	z
x	2.771	0.264	0.000
y	0.264	3.799	0.000
z	0.000	0.000	1.380

<r²>	19.773
(<r²>)^1/2	4.447

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)