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	hartrees
Energy at 0K	-93.576447
Energy at 298.15K
HF Energy	-93.576447
Nuclear repulsion energy	32.590156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3131	14.02
2	A'	3034	2979	36.33
3	A'	2908	2856	57.14
4	A'	1679	1649	9.25
5	A'	1495	1469	2.41
6	A'	1303	1280	64.33
7	A'	1061	1042	61.62
8	A"	1147	1127	54.27
9	A"	1081	1061	26.84

Atom	x (Å)	y (Å)
C1	0.055	0.588
N2	0.055	-0.686
H3	-0.829	1.260
H4	1.024	1.112
H5	-0.911	-1.096

	C1	N2	H3	H4	H5
C1		1.2741	1.1101	1.1020	1.9407
N2	1.2741		2.1371	2.0429	1.0487
H3	1.1101	2.1371		1.8589	2.3566
H4	1.1020	2.0429	1.8589		2.9355
H5	1.9407	1.0487	2.3566	2.9355

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	112.976		N2	C1	H3	127.236
N2	C1	H4	118.405		H3	C1	H4	114.359

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: LSDA/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	-0.206
2	N	-0.462
3	H	0.180
4	H	0.218
5	H	0.271

	x	y	z	Total
	-1.533	1.128	0.000	1.903
CHELPG
AIM
ESP

	x	y	z
x	2.451	0.324	0.000
y	0.324	3.518	0.000
z	0.000	0.000	0.912

<r²>	19.776
(<r²>)^1/2	4.447

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)