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	hartrees
Energy at 0K	-131.983299
Energy at 298.15K	-131.987245
HF Energy	-131.730901
Nuclear repulsion energy	63.883479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	2975	7.70
2	A'	3109	2893	4.69
3	A'	3074	2861	22.56
4	A'	1766	1644	0.03
5	A'	1585	1475	10.15
6	A'	1490	1386	7.23
7	A'	1345	1252	1.98
8	A'	1108	1031	13.40
9	A'	915	851	1.72
10	A'	458	426	18.62
11	A"	3171	2950	9.99
12	A"	1591	1480	11.91
13	A"	1178	1096	1.27
14	A"	825	768	15.30
15	A"	189	176	1.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.488	0.000
C2	-0.835	-0.792	0.000
N3	1.243	0.529	0.000
H4	-0.573	1.422	0.000
H5	-0.178	-1.664	0.000
H6	-1.472	-0.817	0.889
H7	-1.472	-0.817	-0.889

	C1	C2	N3	H4	H5	H6	H7
C1		1.5280	1.2438	1.0953	2.1588	2.1583	2.1583
C2	1.5280		2.4620	2.2291	1.0912	1.0938	1.0938
N3	1.2438	2.4620		2.0233	2.6128	3.1577	3.1577
H4	1.0953	2.2291	2.0233		3.1104	2.5710	2.5710
H5	2.1588	1.0912	2.6128	3.1104		1.7831	1.7831
H6	2.1583	1.0938	3.1577	2.5710	1.7831		1.7776
H7	2.1583	1.0938	3.1577	2.5710	1.7831	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.903	C1	C2	H6	109.712
C1	C2	H7	109.712	C2	C1	N3	124.998
C2	C1	H4	115.377	N3	C1	H4	119.625
H5	C2	H6	109.394	H5	C2	H7	109.394
H6	C2	H7	108.704

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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