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	hartrees
Energy at 0K	-94.633173
Energy at 298.15K
HF Energy	-94.633173
Nuclear repulsion energy	32.767609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3388	3287	3.89
2	A'	3105	3012	41.44
3	A'	3003	2913	49.37
4	A'	1718	1666	24.08
5	A'	1474	1430	4.06
6	A'	1368	1327	45.25
7	A'	1066	1034	31.69
8	A"	1165	1130	41.17
9	A"	1082	1049	13.16

Atom	x (Å)	y (Å)
C1	0.056	0.584
N2	0.056	-0.687
H3	-0.843	1.230
H4	1.024	1.112
H5	-0.913	-1.039

	C1	N2	H3	H4	H5
C1		1.2711	1.1070	1.1024	1.8903
N2	1.2711		2.1170	2.0427	1.0310
H3	1.1070	2.1170		1.8710	2.2694
H4	1.1024	2.0427	1.8710		2.8944
H5	1.8903	1.0310	2.2694	2.8944

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.957		N2	C1	H3	125.659
N2	C1	H4	118.603		H3	C1	H4	115.738

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3LYP/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	0.020
2	N	-0.155
3	H	0.015
4	H	0.035
5	H	0.085

	x	y	z	Total
	-1.293	1.225	0.000	1.781
CHELPG
AIM
ESP

	x	y	z
x	2.669	0.278	-0.000
y	0.278	3.738	-0.001
z	-0.000	-0.001	1.358

<r²>	19.590
(<r²>)^1/2	4.426

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)