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	hartrees
Energy at 0K	-94.541797
Energy at 298.15K
HF Energy	-94.541797
Nuclear repulsion energy	32.731443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	3288	4.32
2	A'	3040	3006	36.42
3	A'	2932	2899	58.25
4	A'	1663	1644	20.06
5	A'	1456	1439	3.94
6	A'	1329	1314	35.66
7	A'	1044	1032	36.63
8	A"	1139	1126	48.97
9	A"	1070	1057	16.17

Atom	x (Å)	y (Å)
C1	0.056	0.587
N2	0.056	-0.687
H3	-0.844	1.229
H4	1.023	1.110
H5	-0.911	-1.049

	C1	N2	H3	H4	H5
C1		1.2739	1.1053	1.0994	1.8996
N2	1.2739		2.1165	2.0407	1.0321
H3	1.1053	2.1165		1.8705	2.2781
H4	1.0994	2.0407	1.8705		2.8980
H5	1.8996	1.0321	2.2781	2.8980

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.496		N2	C1	H3	125.500
N2	C1	H4	118.420		H3	C1	H4	116.080

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBEultrafine/TZVP

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	-0.173
2	N	-0.226
3	H	0.095
4	H	0.129
5	H	0.175

	x	y	z	Total
	-1.444	1.394	0.000	2.007
CHELPG
AIM
ESP

	x	y	z
x	2.955	0.183	0.000
y	0.183	4.232	0.000
z	0.000	0.000	1.826

<r²>	19.855
(<r²>)^1/2	4.456

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBEPBEultrafine/TZVP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)