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	hartrees
Energy at 0K	-94.547130
Energy at 298.15K
HF Energy	-94.547130
Nuclear repulsion energy	32.758788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3298	2.66
2	A'	3035	2998	34.56
3	A'	2934	2899	57.22
4	A'	1660	1640	19.60
5	A'	1444	1426	4.00
6	A'	1327	1310	42.36
7	A'	1038	1026	36.07
8	A"	1134	1120	42.43
9	A"	1056	1043	16.60

Atom	x (Å)	y (Å)
C1	0.056	0.586
N2	0.056	-0.686
H3	-0.845	1.223
H4	1.021	1.112
H5	-0.908	-1.049

	C1	N2	H3	H4	H5
C1		1.2729	1.1040	1.0989	1.8989
N2	1.2729		2.1121	2.0411	1.0305
H3	1.1040	2.1121		1.8702	2.2734
H4	1.0989	2.0411	1.8702		2.8973
H5	1.8989	1.0305	2.2734	2.8973

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.606		N2	C1	H3	125.234
N2	C1	H4	118.574		H3	C1	H4	116.191

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.096
2	N	-0.242
3	H	0.077
4	H	0.102
5	H	0.159

	x	y	z	Total
	-1.332	1.361	0.000	1.905
CHELPG
AIM
ESP

	x	y	z
x	3.122	0.175	0.000
y	0.175	4.256	0.000
z	0.000	0.000	2.114

<r²>	19.811
(<r²>)^1/2	4.451

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)