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	hartrees
Energy at 0K	-133.080369
Energy at 298.15K	-133.084079
HF Energy	-132.523921
Nuclear repulsion energy	63.899907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3141	3037
2	A'	3038	2937
3	A'	2990	2891
4	A'	1704	1647
5	A'	1478	1429
6	A'	1402	1356
7	A'	1235	1194
8	A'	1050	1015
9	A'	900	870
10	A'	419	405
11	A"	3115	3012
12	A"	1478	1429
13	A"	1052	1017
14	A"	735	711
15	A"	105	101

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.488	0.000
C2	-0.846	-0.769	0.000
N3	1.255	0.494	0.000
H4	-0.528	1.451	0.000
H5	-0.211	-1.655	0.000
H6	-1.486	-0.782	0.884
H7	-1.486	-0.782	-0.884

	C1	C2	N3	H4	H5	H6	H7
C1		1.5150	1.2550	1.0985	2.1528	2.1454	2.1454
C2	1.5150		2.4510	2.2432	1.0895	1.0921	1.0921
N3	1.2550	2.4510		2.0236	2.6008	3.1500	3.1500
H4	1.0985	2.2432	2.0236		3.1221	2.5861	2.5861
H5	2.1528	1.0895	2.6008	3.1221		1.7805	1.7805
H6	2.1454	1.0921	3.1500	2.5861	1.7805		1.7690
H7	2.1454	1.0921	3.1500	2.5861	1.7805	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.435	C1	C2	H6	109.688
C1	C2	H7	109.688	C2	C1	N3	124.195
C2	C1	H4	117.366	N3	C1	H4	118.439
H5	C2	H6	109.410	H5	C2	H7	109.410
H6	C2	H7	108.173

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

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVTZ

States and conformations

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