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	hartrees
Energy at 0K	-131.989266
Energy at 298.15K	-131.993192
HF Energy	-131.731370
Nuclear repulsion energy	63.666069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3004	8.19
2	A'	3104	2922	5.41
3	A'	3060	2880	22.91
4	A'	1716	1615	0.40
5	A'	1583	1490	9.27
6	A'	1486	1399	6.42
7	A'	1336	1258	1.52
8	A'	1102	1038	12.83
9	A'	907	853	1.73
10	A'	451	425	17.81
11	A"	3165	2979	10.62
12	A"	1590	1497	11.38
13	A"	1159	1091	0.89
14	A"	809	762	15.78
15	A"	184	173	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.489	0.000
C2	-0.843	-0.788	0.000
N3	1.253	0.521	0.000
H4	-0.567	1.427	0.000
H5	-0.190	-1.663	0.000
H6	-1.479	-0.810	0.889
H7	-1.479	-0.810	-0.889

	C1	C2	N3	H4	H5	H6	H7
C1		1.5303	1.2534	1.0958	2.1605	2.1607	2.1607
C2	1.5303		2.4711	2.2321	1.0913	1.0938	1.0938
N3	1.2534	2.4711		2.0330	2.6178	3.1671	3.1671
H4	1.0958	2.2321	2.0330		3.1127	2.5745	2.5745
H5	2.1605	1.0913	2.6178	3.1127		1.7832	1.7832
H6	2.1607	1.0938	3.1671	2.5745	1.7832		1.7780
H7	2.1607	1.0938	3.1671	2.5745	1.7832	1.7780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	109.864	C1	C2	H6	109.729
C1	C2	H7	109.729	C2	C1	N3	124.872
C2	C1	H4	115.421	N3	C1	H4	119.707
H5	C2	H6	109.385	H5	C2	H7	109.385
H6	C2	H7	108.728

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

using model chemistry: CISD/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: CISD/3-21G

States and conformations

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