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	hartrees
Energy at 0K	-23.471470
Energy at 298.15K	-23.477100
HF Energy	-23.471470
Nuclear repulsion energy	40.990234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3046	42.43
2	A'	3229	2947	49.21
3	A'	3179	2901	53.06
4	A'	3120	2847	72.81
5	A'	1842	1681	23.86
6	A'	1642	1498	32.13
7	A'	1613	1472	0.45
8	A'	1583	1444	3.43
9	A'	1348	1231	13.83
10	A'	1219	1112	1.69
11	A'	1023	934	17.80
12	A'	489	446	7.19
13	A"	3258	2973	37.80
14	A"	1620	1478	6.01
15	A"	1252	1143	0.54
16	A"	1193	1088	31.11
17	A"	743	678	0.50
18	A"	219	200	12.66

Atom	x (Å)	y (Å)	z (Å)
C1	-1.095	-0.437	0.000
N2	0.000	0.539	0.000
C3	1.208	0.147	0.000
H4	-0.751	-1.472	0.000
H5	-1.713	-0.267	0.875
H6	-1.713	-0.267	-0.875
H7	1.497	-0.902	0.000
H8	2.001	0.876	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4667	2.3765	1.0914	1.0844	1.0844	2.6341	3.3631
N2	1.4667		1.2704	2.1468	2.0856	2.0856	2.0779	2.0292
C3	2.3765	1.2704		2.5419	3.0775	3.0775	1.0878	1.0772
H4	1.0914	2.1468	2.5419		1.7728	1.7728	2.3197	3.6180
H5	1.0844	2.0856	3.0775	1.7728		1.7505	3.3872	3.9832
H6	1.0844	2.0856	3.0775	1.7728	1.7505		3.3872	3.9832
H7	2.6341	2.0779	1.0878	2.3197	3.3872	3.3872		1.8482
H8	3.3631	2.0292	1.0772	3.6180	3.9832	3.9832	1.8482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	120.339	N2	C1	H4	113.302
N2	C1	H5	108.750	N2	C1	H6	108.750
N2	C3	H7	123.377	N2	C3	H8	119.393
H4	C1	H5	109.126	H4	C1	H6	109.126
H5	C1	H6	107.632	H7	C3	H8	117.230

All results from a given calculation for CH₂NCH₃ (N-methylmethanimine)

using model chemistry: HF/CEP-121G

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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Number	Element	Mulliken
1	C	-0.389
2	N	-0.040
3	C	-0.300
4	H	0.118
5	H	0.173
6	H	0.173
7	H	0.112
8	H	0.154

	x	y	z	Total
	0.414	-2.000	0.000	2.043
CHELPG
AIM
ESP

	x	y	z
x	6.323	-0.100	0.000
y	-0.100	3.855	0.000
z	0.000	0.000	2.951

<r²>	43.073
(<r²>)^1/2	6.563

All results from a given calculation for CH2NCH3 (N-methylmethanimine)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for CH₂NCH₃ (N-methylmethanimine)