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	hartrees
Energy at 0K	-94.607078
Energy at 298.15K
HF Energy	-94.607078
Nuclear repulsion energy	32.835958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3447	3447	1.05
2	A'	3136	3136	30.09
3	A'	3027	3027	49.82
4	A'	1715	1715	22.86
5	A'	1475	1475	6.41
6	A'	1361	1361	40.03
7	A'	1066	1066	33.14
8	A"	1156	1156	46.11
9	A"	1097	1097	15.40

Atom	x (Å)	y (Å)
C1	0.056	0.586
N2	0.056	-0.685
H3	-0.849	1.213
H4	1.019	1.113
H5	-0.904	-1.044

	C1	N2	H3	H4	H5
C1		1.2707	1.1018	1.0974	1.8914
N2	1.2707		2.1030	2.0391	1.0254
H3	1.1018	2.1030		1.8711	2.2571
H4	1.0974	2.0391	1.8711		2.8893
H5	1.8914	1.0254	2.2571	2.8893

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.472		N2	C1	H3	124.696
N2	C1	H4	118.702		H3	C1	H4	116.602

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3PW91/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	0.729
2	N	0.151
3	H	-0.461
4	H	-0.395
5	H	-0.024

	x	y	z	Total
	-1.352	1.502	0.000	2.021
CHELPG
AIM
ESP

	x	y	z
x	3.321	0.110	0.000
y	0.110	4.382	0.000
z	0.000	0.000	2.566

<r²>	19.724
(<r²>)^1/2	4.441

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3PW91/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)