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	hartrees
Energy at 0K	-132.955735
Energy at 298.15K	-132.959601
HF Energy	-132.493031
Nuclear repulsion energy	63.485843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3164	9.25
2	A'	3057	3057	8.85
3	A'	3035	3035	16.92
4	A'	1721	1721	1.25
5	A'	1472	1472	8.38
6	A'	1387	1387	2.11
7	A'	1251	1251	2.34
8	A'	1069	1069	9.63
9	A'	923	923	1.83
10	A'	431	431	18.52
11	A"	3134	3134	11.18
12	A"	1474	1474	7.17
13	A"	1064	1064	1.74
14	A"	737	737	9.46
15	A"	186	186	2.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.489	0.000
C2	-0.853	-0.769	0.000
N3	1.265	0.491	0.000
H4	-0.523	1.465	0.000
H5	-0.215	-1.665	0.000
H6	-1.500	-0.779	0.892
H7	-1.500	-0.779	-0.892

	C1	C2	N3	H4	H5	H6	H7
C1		1.5201	1.2649	1.1077	2.1648	2.1568	2.1568
C2	1.5201		2.4645	2.2588	1.0994	1.1022	1.1022
N3	1.2649	2.4645		2.0363	2.6154	3.1704	3.1704
H4	1.1077	2.2588	2.0363		3.1454	2.6046	2.6046
H5	2.1648	1.0994	2.6154	3.1454		1.7977	1.7977
H6	2.1568	1.1022	3.1704	2.6046	1.7977		1.7848
H7	2.1568	1.1022	3.1704	2.6046	1.7977	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.427	C1	C2	H6	109.641
C1	C2	H7	109.641	C2	C1	N3	124.232
C2	C1	H4	117.675	N3	C1	H4	118.093
H5	C2	H6	109.483	H5	C2	H7	109.483
H6	C2	H7	108.128

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

using model chemistry: CCSD=FULL/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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All results from a given calculation for CH3CHN (methylmethaniminyl radical)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

States and conformations

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