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	hartrees
Energy at 0K	-132.951752
Energy at 298.15K	-132.955632
HF Energy	-132.479488
Nuclear repulsion energy	64.044315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3236	3236
2	A'	3116	3116
3	A'	3098	3098
4	A'	1718	1718
5	A'	1505	1505
6	A'	1408	1408
7	A'	1258	1258
8	A'	1073	1073
9	A'	934	934
10	A'	425	425
11	A"	3205	3205
12	A"	1510	1510
13	A"	1079	1079
14	A"	752	752
15	A"	196	196

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.488	0.000
C2	-0.846	-0.760	0.000
N3	1.255	0.482	0.000
H4	-0.516	1.455	0.000
H5	-0.215	-1.646	0.000
H6	-1.488	-0.773	0.882
H7	-1.488	-0.773	-0.882

	C1	C2	N3	H4	H5	H6	H7
C1		1.5076	1.2552	1.0963	2.1448	2.1408	2.1408
C2	1.5076		2.4410	2.2394	1.0880	1.0910	1.0910
N3	1.2552	2.4410		2.0209	2.5868	3.1432	3.1432
H4	1.0963	2.2394	2.0209		3.1158	2.5861	2.5861
H5	2.1448	1.0880	2.5868	3.1158		1.7779	1.7779
H6	2.1408	1.0910	3.1432	2.5861	1.7779		1.7639
H7	2.1408	1.0910	3.1432	2.5861	1.7779	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.401	C1	C2	H6	109.902
C1	C2	H7	109.902	C2	C1	N3	123.885
C2	C1	H4	117.769	N3	C1	H4	118.346
H5	C2	H6	109.356	H5	C2	H7	109.356
H6	C2	H7	107.880

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

using model chemistry: ROMP2/6-31G(2df,p)

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: ROMP2/6-31G(2df,p)

States and conformations

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