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	hartrees
Energy at 0K	-94.594608
Energy at 298.15K
HF Energy	-94.594608
Nuclear repulsion energy	32.642400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3365	3237	17.00
2	A'	3174	3053	39.46
3	A'	3044	2928	49.58
4	A'	1710	1645	15.08
5	A'	1529	1471	5.84
6	A'	1360	1309	50.69
7	A'	1081	1040	53.62
8	A"	1177	1133	61.85
9	A"	1115	1073	19.16

Atom	x (Å)	y (Å)
C1	0.055	0.594
N2	0.055	-0.687
H3	-0.834	1.237
H4	1.012	1.113
H5	-0.890	-1.102

	C1	N2	H3	H4	H5
C1		1.2811	1.0970	1.0895	1.9410
N2	1.2811		2.1195	2.0394	1.0313
H3	1.0970	2.1195		1.8505	2.3396
H4	1.0895	2.0394	1.8505		2.9197
H5	1.9410	1.0313	2.3396	2.9197

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	113.712		N2	C1	H3	125.889
N2	C1	H4	118.478		H3	C1	H4	115.634

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3LYP/6-31G

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	-0.112
2	N	-0.422
3	H	0.122
4	H	0.151
5	H	0.261

	x	y	z	Total
	-1.636	1.398	0.000	2.152
CHELPG
AIM
ESP

	x	y	z
x	2.506	0.293	0.000
y	0.293	3.780	0.000
z	0.000	0.000	1.027

<r²>	19.812
(<r²>)^1/2	4.451

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)