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	hartrees
Energy at 0K	-94.520496
Energy at 298.15K
HF Energy	-94.520496
Nuclear repulsion energy	32.915249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3498	3341	0.67
2	A'	3171	3029	28.99
3	A'	3058	2921	46.85
4	A'	1744	1666	27.23
5	A'	1501	1434	4.94
6	A'	1369	1307	32.55
7	A'	1071	1023	37.52
8	A"	1169	1117	56.71
9	A"	1103	1053	18.30

Atom	x (Å)	y (Å)
C1	0.056	0.585
N2	0.056	-0.684
H3	-0.844	1.214
H4	1.015	1.108
H5	-0.901	-1.044

	C1	N2	H3	H4	H5
C1		1.2684	1.0979	1.0923	1.8887
N2	1.2684		2.0998	2.0321	1.0223
H3	1.0979	2.0998		1.8617	2.2581
H4	1.0923	2.0321	1.8617		2.8809
H5	1.8887	1.0223	2.2581	2.8809

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.626		N2	C1	H3	124.948
N2	C1	H4	118.628		H3	C1	H4	116.424

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBE1PBE/6-31+G**

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	-0.197
2	N	-0.358
3	H	0.137
4	H	0.156
5	H	0.262

	x	y	z	Total
	-1.572	1.576	0.000	2.226
CHELPG
AIM
ESP

	x	y	z
x	2.777	0.106	0.000
y	0.106	4.144	0.000
z	0.000	0.000	1.895

<r²>	19.704
(<r²>)^1/2	4.439

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for CH₂NH (Methanimine)