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	hartrees
Energy at 0K	-94.596561
Energy at 298.15K
HF Energy	-94.596561
Nuclear repulsion energy	32.802273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3417	3298	1.95
2	A'	3123	3013	39.13
3	A'	3019	2913	47.73
4	A'	1732	1671	24.41
5	A'	1474	1423	4.04
6	A'	1365	1317	44.20
7	A'	1063	1026	32.15
8	A"	1167	1126	43.05
9	A"	1083	1045	14.65

Atom	x (Å)	y (Å)
C1	0.056	0.583
N2	0.056	-0.686
H3	-0.842	1.229
H4	1.024	1.111
H5	-0.913	-1.035

	C1	N2	H3	H4	H5
C1		1.2695	1.1067	1.1021	1.8861
N2	1.2695		2.1159	2.0410	1.0301
H3	1.1067	2.1159		1.8698	2.2653
H4	1.1021	2.0410	1.8698		2.8906
H5	1.8861	1.0301	2.2653	2.8906

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.774		N2	C1	H3	125.725
N2	C1	H4	118.604		H3	C1	H4	115.671

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3PW91/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	-0.009
2	N	-0.183
3	H	0.036
4	H	0.057
5	H	0.099

	x	y	z	Total
	-1.314	1.271	0.000	1.828
CHELPG
AIM
ESP

	x	y	z
x	2.645	0.256	0.001
y	0.256	3.728	0.000
z	0.001	0.000	1.363

<r²>	19.510
(<r²>)^1/2	4.417

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)