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	hartrees
Energy at 0K	-94.522356
Energy at 298.15K
HF Energy	-94.522356
Nuclear repulsion energy	32.566624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3329	3329	2.81
2	A'	3052	3052	31.57
3	A'	2941	2941	58.15
4	A'	1652	1652	19.92
5	A'	1431	1431	4.00
6	A'	1321	1321	37.92
7	A'	1034	1034	31.61
8	A"	1123	1123	43.11
9	A"	1054	1054	15.81

Atom	x (Å)	y (Å)
C1	0.057	0.590
N2	0.057	-0.691
H3	-0.852	1.228
H4	1.028	1.117
H5	-0.915	-1.048

	C1	N2	H3	H4	H5
C1		1.2814	1.1103	1.1052	1.9047
N2	1.2814		2.1232	2.0530	1.0351
H3	1.1103	2.1232		1.8837	2.2764
H4	1.1052	2.0530	1.8837		2.9094
H5	1.9047	1.0351	2.2764	2.9094

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.162		N2	C1	H3	125.030
N2	C1	H4	118.494		H3	C1	H4	116.476

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBE/daug-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	0.787
2	N	0.145
3	H	-0.482
4	H	-0.422
5	H	-0.028

	x	y	z	Total
	-1.313	1.441	0.000	1.949
CHELPG
AIM
ESP

	x	y	z
x	3.534	0.088	0.000
y	0.088	4.592	0.000
z	0.000	0.000	2.674

<r²>	20.045
(<r²>)^1/2	4.477

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBEPBE/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)