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	hartrees
Energy at 0K	-132.938886
Energy at 298.15K	-132.942741
HF Energy	-132.501131
Nuclear repulsion energy	63.766495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3019	10.56
2	A'	3052	2922	9.94
3	A'	3006	2878	22.87
4	A'	1730	1656	0.30
5	A'	1510	1445	11.30
6	A'	1427	1366	5.85
7	A'	1273	1218	1.88
8	A'	1081	1035	9.91
9	A'	930	891	1.56
10	A'	437	418	18.19
11	A"	3125	2992	13.83
12	A"	1510	1445	10.92
13	A"	1087	1041	0.85
14	A"	746	715	11.54
15	A"	173	165	1.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.488	0.000
C2	-0.846	-0.772	0.000
N3	1.256	0.499	0.000
H4	-0.532	1.454	0.000
H5	-0.206	-1.658	0.000
H6	-1.489	-0.791	0.887
H7	-1.489	-0.791	-0.887

	C1	C2	N3	H4	H5	H6	H7
C1		1.5175	1.2562	1.1032	2.1557	2.1539	2.1539
C2	1.5175		2.4565	2.2481	1.0929	1.0957	1.0957
N3	1.2562	2.4565		2.0277	2.6058	3.1602	3.1602
H4	1.1032	2.2481	2.0277		3.1291	2.5964	2.5964
H5	2.1557	1.0929	2.6058	3.1291		1.7846	1.7846
H6	2.1539	1.0957	3.1602	2.5964	1.7846		1.7737
H7	2.1539	1.0957	3.1602	2.5964	1.7846	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.279	C1	C2	H6	109.968
C1	C2	H7	109.968	C2	C1	N3	124.386
C2	C1	H4	117.264	N3	C1	H4	118.349
H5	C2	H6	109.258	H5	C2	H7	109.258
H6	C2	H7	108.071

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

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

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