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	hartrees
Energy at 0K	-133.007237
Energy at 298.15K	-133.011198
HF Energy	-132.521490
Nuclear repulsion energy	64.794504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3052	3.50
2	A'	3095	2938	4.63
3	A'	3053	2899	13.70
4	A'	2144	2035	104.86
5	A'	1495	1419	13.49
6	A'	1397	1326	4.83
7	A'	1271	1207	4.49
8	A'	1080	1026	11.53
9	A'	937	890	1.76
10	A'	442	419	22.50
11	A"	3182	3021	4.43
12	A"	1501	1426	9.54
13	A"	1141	1084	1.54
14	A"	799	759	7.34
15	A"	215	204	2.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.481	0.000
C2	-0.817	-0.783	0.000
N3	1.219	0.519	0.000
H4	-0.548	1.430	0.000
H5	-0.168	-1.652	0.000
H6	-1.456	-0.801	0.880
H7	-1.456	-0.801	-0.880

	C1	C2	N3	H4	H5	H6	H7
C1		1.5046	1.2196	1.0962	2.1390	2.1300	2.1300
C2	1.5046		2.4169	2.2289	1.0847	1.0879	1.0879
N3	1.2196	2.4169		1.9880	2.5765	3.1103	3.1103
H4	1.0962	2.2289	1.9880		3.1050	2.5641	2.5641
H5	2.1390	1.0847	2.5765	3.1050		1.7772	1.7772
H6	2.1300	1.0879	3.1103	2.5641	1.7772		1.7606
H7	2.1300	1.0879	3.1103	2.5641	1.7772	1.7606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.355	C1	C2	H6	109.443
C1	C2	H7	109.443	C2	C1	N3	124.721
C2	C1	H4	117.093	N3	C1	H4	118.186
H5	C2	H6	109.767	H5	C2	H7	109.767
H6	C2	H7	108.027

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

using model chemistry: MP2/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: MP2/cc-pVTZ

States and conformations

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