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	hartrees
Energy at 0K	-94.527552
Energy at 298.15K
HF Energy	-94.527552
Nuclear repulsion energy	32.869864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3473	3473	0.88
2	A'	3152	3152	28.35
3	A'	3044	3044	46.77
4	A'	1730	1730	23.74
5	A'	1478	1478	6.55
6	A'	1365	1365	40.11
7	A'	1067	1067	33.21
8	A"	1161	1161	46.56
9	A"	1102	1102	15.70

Atom	x (Å)	y (Å)
C1	0.056	0.585
N2	0.056	-0.684
H3	-0.850	1.211
H4	1.019	1.112
H5	-0.904	-1.042

	C1	N2	H3	H4	H5
C1		1.2691	1.1014	1.0970	1.8886
N2	1.2691		2.1006	2.0374	1.0244
H3	1.1014	2.1006		1.8711	2.2532
H4	1.0970	2.0374	1.8711		2.8864
H5	1.8886	1.0244	2.2532	2.8864

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.419		N2	C1	H3	124.641
N2	C1	H4	118.694		H3	C1	H4	116.665

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBE1PBE/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	0.727
2	N	0.087
3	H	-0.435
4	H	-0.369
5	H	-0.010

	x	y	z	Total
	-1.358	1.505	0.000	2.027
CHELPG
AIM
ESP

	x	y	z
x	3.311	0.110	0.000
y	0.110	4.370	0.000
z	0.000	0.000	2.566

<r²>	19.719
(<r²>)^1/2	4.441

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBE1PBE/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)