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	hartrees
Energy at 0K	-94.527109
Energy at 298.15K
HF Energy	-94.527109
Nuclear repulsion energy	32.863611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3473	3340	0.96
2	A'	3154	3033	27.62
3	A'	3046	2929	46.07
4	A'	1731	1664	23.27
5	A'	1478	1422	6.68
6	A'	1364	1311	40.38
7	A'	1067	1026	33.13
8	A"	1162	1118	47.55
9	A"	1100	1058	16.16

Atom	x (Å)	y (Å)
C1	0.056	0.585
N2	0.056	-0.684
H3	-0.850	1.212
H4	1.020	1.111
H5	-0.903	-1.043

	C1	N2	H3	H4	H5
C1		1.2691	1.1021	1.0976	1.8893
N2	1.2691		2.1016	2.0374	1.0245
H3	1.1021	2.1016		1.8723	2.2550
H4	1.0976	2.0374	1.8723		2.8872
H5	1.8893	1.0245	2.2550	2.8872

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.470		N2	C1	H3	124.670
N2	C1	H4	118.650		H3	C1	H4	116.680

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBE1PBE/aug-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	0.623
2	N	-0.269
3	H	-0.152
4	H	-0.221
5	H	0.019

	x	y	z	Total
	-1.367	1.503	0.000	2.032
CHELPG
AIM
ESP

	x	y	z
x	3.251	0.110	0.000
y	0.110	4.348	0.000
z	0.000	0.000	2.495

<r²>	19.725
(<r²>)^1/2	4.441

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)