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	hartrees
Energy at 0K	-133.939096
Energy at 298.15K	-133.944576
HF Energy	-133.939096
Nuclear repulsion energy	72.393335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3028	28.21
2	A'	3106	2967	24.11
3	A'	3008	2872	66.89
4	A'	2996	2861	50.49
5	A'	1776	1696	19.51
6	A'	1520	1452	20.99
7	A'	1485	1418	5.12
8	A'	1440	1375	0.28
9	A'	1256	1199	15.40
10	A'	1129	1079	0.14
11	A'	990	945	14.92
12	A'	486	464	5.16
13	A"	3132	2991	15.54
14	A"	1480	1413	6.72
15	A"	1144	1093	0.45
16	A"	1085	1036	21.32
17	A"	703	672	0.74
18	A"	176	168	9.72

Atom	x (Å)	y (Å)	z (Å)
C1	-1.066	-0.415	0.000
N2	0.000	0.547	0.000
C3	1.180	0.121	0.000
H4	-0.737	-1.466	0.000
H5	-1.694	-0.246	0.877
H6	-1.694	-0.246	-0.877
H7	1.444	-0.945	0.000
H8	2.001	0.836	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4357	2.3093	1.1018	1.0920	1.0920	2.5659	3.3122
N2	1.4357		1.2541	2.1432	2.0658	2.0658	2.0761	2.0215
C3	2.3093	1.2541		2.4885	3.0273	3.0273	1.0985	1.0883
H4	1.1018	2.1432	2.4885		1.7821	1.7821	2.2423	3.5766
H5	1.0920	2.0658	3.0273	1.7821		1.7547	3.3329	3.9486
H6	1.0920	2.0658	3.0273	1.7821	1.7547		3.3329	3.9486
H7	2.5659	2.0761	1.0985	2.2423	3.3329	3.3329		1.8656
H8	3.3122	2.0215	1.0883	3.5766	3.9486	3.9486	1.8656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.147	N2	C1	H4	114.623
N2	C1	H5	108.869	N2	C1	H6	108.869
N2	C3	H7	123.746	N2	C3	H8	119.143
H4	C1	H5	108.645	H4	C1	H6	108.645
H5	C1	H6	106.919	H7	C3	H8	117.111

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

using model chemistry: wB97X-D/TZVP

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	-0.285
2	N	-0.128
3	C	-0.151
4	H	0.084
5	H	0.137
6	H	0.137
7	H	0.076
8	H	0.128

	x	y	z	Total
	0.365	-1.582	0.000	1.623
CHELPG
AIM
ESP

	x	y	z
x	6.489	-0.025	0.000
y	-0.025	4.502	0.000
z	0.000	0.000	3.443

<r²>	48.272
(<r²>)^1/2	6.948

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

using model chemistry: wB97X-D/TZVP

States and conformations

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