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	hartrees
Energy at 0K	-133.949078
Energy at 298.15K	-133.954605
HF Energy	-133.949078
Nuclear repulsion energy	72.031394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3023	36.44
2	A'	3080	2960	28.08
3	A'	2998	2881	65.00
4	A'	2979	2862	46.75
5	A'	1758	1689	20.01
6	A'	1524	1464	18.07
7	A'	1493	1435	2.92
8	A'	1449	1392	2.89
9	A'	1248	1199	14.74
10	A'	1132	1088	0.55
11	A'	972	934	13.38
12	A'	477	458	5.90
13	A"	3102	2980	20.78
14	A"	1491	1433	3.60
15	A"	1148	1103	0.21
16	A"	1062	1020	15.99
17	A"	700	673	0.94
18	A"	226	217	8.11

Atom	x (Å)	y (Å)	z (Å)
C1	-1.076	-0.420	0.000
N2	0.000	0.556	0.000
C3	1.190	0.120	0.000
H4	-0.736	-1.468	0.000
H5	-1.708	-0.253	0.879
H6	-1.708	-0.253	-0.879
H7	1.454	-0.949	0.000
H8	2.019	0.830	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4523	2.3292	1.1024	1.0957	1.0957	2.5847	3.3380
N2	1.4523		1.2666	2.1531	2.0844	2.0844	2.0923	2.0375
C3	2.3292	1.2666		2.4959	3.0511	3.0511	1.1018	1.0917
H4	1.1024	2.1531	2.4959		1.7878	1.7878	2.2499	3.5874
H5	1.0957	2.0844	3.0511	1.7878		1.7588	3.3549	3.9796
H6	1.0957	2.0844	3.0511	1.7878	1.7588		3.3549	3.9796
H7	2.5847	2.0923	1.1018	2.2499	3.3549	3.3549		1.8671
H8	3.3380	2.0375	1.0917	3.5874	3.9796	3.9796	1.8671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.726	N2	C1	H4	114.181
N2	C1	H5	108.973	N2	C1	H6	108.973
N2	C3	H7	123.964	N2	C3	H8	119.348
H4	C1	H5	108.849	H4	C1	H6	108.849
H5	C1	H6	106.759	H7	C3	H8	116.688

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

using model chemistry: B3LYP/6-31G**

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	-0.186
2	N	-0.313
3	C	-0.024
4	H	0.085
5	H	0.126
6	H	0.126
7	H	0.079
8	H	0.107

	x	y	z	Total
	0.298	-1.411	0.000	1.442
CHELPG
AIM
ESP

	x	y	z
x	6.077	0.107	0.000
y	0.107	4.012	0.000
z	0.000	0.000	2.728

<r²>	48.491
(<r²>)^1/2	6.964

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

using model chemistry: B3LYP/6-31G**

States and conformations

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