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	hartrees
Energy at 0K	-94.668200
Energy at 298.15K
HF Energy	-94.668200
Nuclear repulsion energy	32.944617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3417	3417	1.44
2	A'	3112	3112	30.76
3	A'	3013	3013	53.87
4	A'	1700	1700	20.40
5	A'	1492	1492	6.49
6	A'	1370	1370	38.22
7	A'	1064	1064	35.78
8	A"	1167	1167	44.41
9	A"	1097	1097	17.28

Atom	x (Å)	y (Å)
C1	0.056	0.585
N2	0.056	-0.683
H3	-0.843	1.210
H4	1.012	1.108
H5	-0.900	-1.048

	C1	N2	H3	H4	H5
C1		1.2673	1.0948	1.0900	1.8916
N2	1.2673		2.0951	2.0298	1.0234
H3	1.0948	2.0951		1.8577	2.2581
H4	1.0900	2.0298	1.8577		2.8815
H5	1.8916	1.0234	2.2581	2.8815

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.889		N2	C1	H3	124.821
N2	C1	H4	118.689		H3	C1	H4	116.490

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: TPSSh/6-311+G(3df,2p)

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	0.327
2	N	-0.667
3	H	0.101
4	H	0.102
5	H	0.138

	x	y	z	Total
	-1.357	1.490	0.000	2.015
CHELPG
AIM
ESP

	x	y	z
x	3.172	0.116	0.000
y	0.116	4.291	0.000
z	0.000	0.000	2.434

<r²>	19.643
(<r²>)^1/2	4.432

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: TPSSh/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₂NH (Methanimine)