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	hartrees
Energy at 0K	-132.875966
Energy at 298.15K	-132.879920
HF Energy	-132.485077
Nuclear repulsion energy	64.215582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3077	3.96
2	A'	3102	2955	6.04
3	A'	3062	2917	18.99
4	A'	2102	2002	64.11
5	A'	1476	1406	12.37
6	A'	1388	1322	3.51
7	A'	1262	1202	3.82
8	A'	1081	1030	11.23
9	A'	939	894	1.80
10	A'	438	417	21.26
11	A"	3201	3049	5.66
12	A"	1483	1412	9.99
13	A"	1134	1080	1.16
14	A"	794	756	7.29
15	A"	218	208	1.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.483	0.000
C2	-0.824	-0.787	0.000
N3	1.230	0.523	0.000
H4	-0.560	1.442	0.000
H5	-0.167	-1.668	0.000
H6	-1.470	-0.806	0.892
H7	-1.470	-0.806	-0.892

	C1	C2	N3	H4	H5	H6	H7
C1		1.5137	1.2305	1.1107	2.1577	2.1488	2.1488
C2	1.5137		2.4358	2.2445	1.0987	1.1016	1.1016
N3	1.2305	2.4358		2.0122	2.5989	3.1387	3.1387
H4	1.1107	2.2445	2.0122		3.1350	2.5837	2.5837
H5	2.1577	1.0987	2.5989	3.1350		1.7990	1.7990
H6	2.1488	1.1016	3.1387	2.5837	1.7990		1.7834
H7	2.1488	1.1016	3.1387	2.5837	1.7990	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.364	C1	C2	H6	109.488
C1	C2	H7	109.488	C2	C1	N3	124.831
C2	C1	H4	116.743	N3	C1	H4	118.425
H5	C2	H6	109.689	H5	C2	H7	109.689
H6	C2	H7	108.085

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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