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	hartrees
Energy at 0K	-131.981886
Energy at 298.15K	-131.985848
HF Energy	-131.730008
Nuclear repulsion energy	64.010942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3032	5.90
2	A'	3102	2941	4.59
3	A'	3042	2884	21.92
4	A'	1879	1781	2.60
5	A'	1583	1501	10.84
6	A'	1477	1400	6.52
7	A'	1340	1271	2.36
8	A'	1096	1039	12.13
9	A'	909	862	1.98
10	A'	455	431	18.99
11	A"	3176	3011	7.54
12	A"	1588	1506	12.19
13	A"	1196	1134	1.84
14	A"	838	795	14.58
15	A"	200	190	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.485	0.000
C2	-0.825	-0.803	0.000
N3	1.232	0.547	0.000
H4	-0.593	1.409	0.000
H5	-0.158	-1.668	0.000
H6	-1.461	-0.831	0.890
H7	-1.461	-0.831	-0.890

	C1	C2	N3	H4	H5	H6	H7
C1		1.5301	1.2338	1.0981	2.1583	2.1585	2.1585
C2	1.5301		2.4614	2.2247	1.0918	1.0941	1.0941
N3	1.2338	2.4614		2.0186	2.6151	3.1539	3.1539
H4	1.0981	2.2247	2.0186		3.1073	2.5622	2.5622
H5	2.1583	1.0918	2.6151	3.1073		1.7859	1.7859
H6	2.1585	1.0941	3.1539	2.5622	1.7859		1.7801
H7	2.1585	1.0941	3.1539	2.5622	1.7859	1.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.678	C1	C2	H6	109.563
C1	C2	H7	109.563	C2	C1	N3	125.547
C2	C1	H4	114.662	N3	C1	H4	119.791
H5	C2	H6	109.574	H5	C2	H7	109.574
H6	C2	H7	108.873

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

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G*

States and conformations

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