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	hartrees
Energy at 0K	-94.545737
Energy at 298.15K
HF Energy	-94.545737
Nuclear repulsion energy	32.752334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3298	1.94
2	A'	3033	2999	30.17
3	A'	2934	2901	58.58
4	A'	1655	1636	19.91
5	A'	1440	1423	4.58
6	A'	1323	1308	39.63
7	A'	1036	1024	33.93
8	A"	1129	1117	40.70
9	A"	1052	1040	17.94

Atom	x (Å)	y (Å)
C1	0.056	0.587
N2	0.056	-0.686
H3	-0.847	1.221
H4	1.021	1.113
H5	-0.907	-1.051

	C1	N2	H3	H4	H5
C1		1.2735	1.1037	1.0986	1.9005
N2	1.2735		2.1106	2.0418	1.0303
H3	1.1037	2.1106		1.8710	2.2727
H4	1.0986	2.0418	1.8710		2.8984
H5	1.9005	1.0303	2.2727	2.8984

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.719		N2	C1	H3	125.052
N2	C1	H4	118.612		H3	C1	H4	116.336

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	-0.420
2	N	-0.383
3	H	0.330
4	H	0.344
5	H	0.130

	x	y	z	Total
	-1.320	1.419	0.000	1.938
CHELPG
AIM
ESP

	x	y	z
x	3.472	0.087	0.000
y	0.087	4.539	0.000
z	0.000	0.000	2.633

<r²>	19.888
(<r²>)^1/2	4.460

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)