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	hartrees
Energy at 0K	-133.047657
Energy at 298.15K	-133.051481
HF Energy	-132.518505
Nuclear repulsion energy	63.916541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3159	3020
2	A'	3055	2921
3	A'	3013	2881
4	A'	1712	1637
5	A'	1494	1429
6	A'	1415	1353
7	A'	1268	1212
8	A'	1065	1018
9	A'	915	875
10	A'	436	417
11	A"	3132	2994
12	A"	1484	1419
13	A"	1071	1024
14	A"	743	711
15	A"	156	149

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.489	0.000
C2	-0.845	-0.769	0.000
N3	1.254	0.493	0.000
H4	-0.530	1.451	0.000
H5	-0.207	-1.653	0.000
H6	-1.484	-0.783	0.886
H7	-1.484	-0.783	-0.886

	C1	C2	N3	H4	H5	H6	H7
C1		1.5155	1.2540	1.0989	2.1514	2.1459	2.1459
C2	1.5155		2.4494	2.2425	1.0898	1.0923	1.0923
N3	1.2540	2.4494		2.0254	2.5960	3.1481	3.1481
H4	1.0989	2.2425	2.0254		3.1206	2.5857	2.5857
H5	2.1514	1.0898	2.5960	3.1206		1.7808	1.7808
H6	2.1459	1.0923	3.1481	2.5857	1.7808		1.7714
H7	2.1459	1.0923	3.1481	2.5857	1.7808	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.270	C1	C2	H6	109.684
C1	C2	H7	109.684	C2	C1	N3	124.091
C2	C1	H4	117.238	N3	C1	H4	118.671
H5	C2	H6	109.402	H5	C2	H7	109.402
H6	C2	H7	108.370

All results from a given calculation for CH₃CHN (methylmethaniminyl radical)

using model chemistry: CCSD(T)=FULL/TZVP

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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All results from a given calculation for CH3CHN (methylmethaniminyl radical)

using model chemistry: CCSD(T)=FULL/TZVP

States and conformations

All results from a given calculation for CH₃CHN (methylmethaniminyl radical)