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	hartrees
Energy at 0K	-94.607997
Energy at 298.15K
HF Energy	-94.607997
Nuclear repulsion energy	32.521466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	3291	3.94
2	A'	3036	3030	32.05
3	A'	2928	2922	60.21
4	A'	1635	1631	19.05
5	A'	1439	1436	4.99
6	A'	1327	1324	38.97
7	A'	1042	1040	31.35
8	A"	1124	1122	43.93
9	A"	1057	1055	15.22

Atom	x (Å)	y (Å)
C1	0.057	0.592
N2	0.057	-0.692
H3	-0.852	1.229
H4	1.027	1.121
H5	-0.912	-1.057

	C1	N2	H3	H4	H5
C1		1.2838	1.1104	1.1049	1.9122
N2	1.2838		2.1255	2.0559	1.0355
H3	1.1104	2.1255		1.8825	2.2865
H4	1.1049	2.0559	1.8825		2.9157
H5	1.9122	1.0355	2.2865	2.9157

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.612		N2	C1	H3	125.029
N2	C1	H4	118.594		H3	C1	H4	116.377

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: BLYP/aug-cc-pVDZ

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	0.873
2	N	-0.088
3	H	-0.314
4	H	-0.402
5	H	-0.068

	x	y	z	Total
	-1.322	1.458	0.000	1.968
CHELPG
AIM
ESP

	x	y	z
x	3.490	0.095	-0.000
y	0.095	4.626	0.001
z	-0.000	0.001	2.617

<r²>	20.163
(<r²>)^1/2	4.490

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)