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	hartrees
Energy at 0K	-133.056322
Energy at 298.15K	-133.060212
HF Energy	-132.524119
Nuclear repulsion energy	64.108751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3027	6.79
2	A'	3065	2930	7.70
3	A'	3030	2896	13.48
4	A'	1745	1668	1.77
5	A'	1503	1437	9.73
6	A'	1415	1353	2.63
7	A'	1265	1209	2.28
8	A'	1078	1031	10.33
9	A'	929	888	2.05
10	A'	436	416	18.91
11	A"	3136	2997	8.57
12	A"	1507	1441	7.91
13	A"	1087	1039	1.34
14	A"	755	721	9.57
15	A"	188	180	2.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.486	0.000
C2	-0.842	-0.768	0.000
N3	1.249	0.494	0.000
H4	-0.525	1.448	0.000
H5	-0.207	-1.651	0.000
H6	-1.482	-0.780	0.882
H7	-1.482	-0.780	-0.882

	C1	C2	N3	H4	H5	H6	H7
C1		1.5101	1.2495	1.0962	2.1473	2.1397	2.1397
C2	1.5101		2.4422	2.2387	1.0875	1.0904	1.0904
N3	1.2495	2.4422		2.0149	2.5931	3.1405	3.1405
H4	1.0962	2.2387	2.0149		3.1158	2.5808	2.5808
H5	2.1473	1.0875	2.5931	3.1158		1.7782	1.7782
H6	2.1397	1.0904	3.1405	2.5808	1.7782		1.7650
H7	2.1397	1.0904	3.1405	2.5808	1.7782	1.7650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.456	C1	C2	H6	109.675
C1	C2	H7	109.675	C2	C1	N3	124.232
C2	C1	H4	117.512	N3	C1	H4	118.256
H5	C2	H6	109.469	H5	C2	H7	109.469
H6	C2	H7	108.056

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

using model chemistry: CCSD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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