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	hartrees
Energy at 0K	-93.494780
Energy at 298.15K
HF Energy	-93.494780
Nuclear repulsion energy	33.214765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3577	3229	1.14
2	A'	3329	3005	41.97
3	A'	3225	2910	30.33
4	A'	1849	1669	13.38
5	A'	1641	1481	9.02
6	A'	1483	1339	74.57
7	A'	1173	1059	55.49
8	A"	1285	1160	63.21
9	A"	1234	1114	27.29

Atom	x (Å)	y (Å)
C1	0.054	0.583
N2	0.054	-0.673
H3	-0.827	1.208
H4	0.992	1.107
H5	-0.866	-1.101

	C1	N2	H3	H4	H5
C1		1.2565	1.0805	1.0745	1.9189
N2	1.2565		2.0777	2.0125	1.0145
H3	1.0805	2.0777		1.8222	2.3092
H4	1.0745	2.0125	1.8222		2.8858
H5	1.9189	1.0145	2.3092	2.8858

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	114.916		N2	C1	H3	125.339
N2	C1	H4	119.196		H3	C1	H4	115.465

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: HF/3-21G*

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	-0.110
2	N	-0.580
3	H	0.183
4	H	0.216
5	H	0.292

	x	y	z	Total
	-1.689	1.442	0.000	2.220
CHELPG	-1.680	1.377	0.000	2.172
AIM
ESP

	x	y	z
x	2.150	0.354	0.000
y	0.354	3.491	0.000
z	0.000	0.000	0.825

<r²>	19.400
(<r²>)^1/2	4.405

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)