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	hartrees
Energy at 0K	-93.377753
Energy at 298.15K
HF Energy	-93.377753
Nuclear repulsion energy	32.045057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3492	3090	15.81
2	A'	3461	3063	5.60
3	A'	3314	2933	0.28
4	A'	1776	1571	4.30
5	A'	1563	1383	0.03
6	A'	1480	1310	29.35
7	A'	1111	983	18.25
8	A"	1235	1093	23.93
9	A"	1070	947	12.87

Atom	x (Å)	y (Å)
C1	0.059	0.599
N2	0.059	-0.709
H3	-0.831	1.258
H4	1.033	1.120
H5	-0.975	-1.009

	C1	N2	H3	H4	H5
C1		1.3073	1.1079	1.1041	1.9113
N2	1.3073		2.1586	2.0714	1.0770
H3	1.1079	2.1586		1.8689	2.2708
H4	1.1041	2.0714	1.8689		2.9259
H5	1.9113	1.0770	2.2708	2.9259

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	106.172		N2	C1	H3	126.504
N2	C1	H4	118.169		H3	C1	H4	115.327

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3PW91/STO-3G

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	-0.062
2	N	-0.263
3	H	0.077
4	H	0.090
5	H	0.158

	x	y	z	Total
	-1.341	1.204	0.000	1.802
CHELPG
AIM
ESP

	x	y	z
x	1.420	0.369	0.000
y	0.369	2.117	0.000
z	0.000	0.000	0.452

<r²>	19.543
(<r²>)^1/2	4.421

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)