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	hartrees
Energy at 0K	-132.898961
Energy at 298.15K	-132.902911
HF Energy	-132.484542
Nuclear repulsion energy	64.612344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3068	4.59
2	A'	3140	2949	6.06
3	A'	3109	2920	15.37
4	A'	2117	1988	99.45
5	A'	1528	1435	14.22
6	A'	1439	1351	5.07
7	A'	1300	1221	3.65
8	A'	1102	1035	11.38
9	A'	952	894	1.25
10	A'	449	422	22.94
11	A"	3236	3040	5.37
12	A"	1527	1434	11.49
13	A"	1163	1092	2.98
14	A"	808	759	7.97
15	A"	199	187	2.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.480	0.000
C2	-0.824	-0.779	0.000
N3	1.228	0.514	0.000
H4	-0.544	1.432	0.000
H5	-0.180	-1.652	0.000
H6	-1.462	-0.794	0.881
H7	-1.462	-0.794	-0.881

	C1	C2	N3	H4	H5	H6	H7
C1		1.5055	1.2280	1.0957	2.1403	2.1302	2.1302
C2	1.5055		2.4256	2.2288	1.0850	1.0879	1.0879
N3	1.2280	2.4256		1.9947	2.5837	3.1178	3.1178
H4	1.0957	2.2288	1.9947		3.1054	2.5638	2.5638
H5	2.1403	1.0850	2.5837	3.1054		1.7768	1.7768
H6	2.1302	1.0879	3.1178	2.5638	1.7768		1.7628
H7	2.1302	1.0879	3.1178	2.5638	1.7768	1.7628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.370	C1	C2	H6	109.394
C1	C2	H7	109.394	C2	C1	N3	124.784
C2	C1	H4	117.051	N3	C1	H4	118.165
H5	C2	H6	109.707	H5	C2	H7	109.707
H6	C2	H7	108.233

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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