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	hartrees
Energy at 0K	-133.907316
Energy at 298.15K	-133.912789
HF Energy	-133.907316
Nuclear repulsion energy	72.006776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3065	3022	38.54
2	A'	3012	2970	28.70
3	A'	2911	2870	117.37
4	A'	2903	2862	34.27
5	A'	1685	1662	15.82
6	A'	1476	1455	20.31
7	A'	1446	1425	2.39
8	A'	1399	1379	2.26
9	A'	1208	1192	17.73
10	A'	1099	1084	0.19
11	A'	932	919	14.05
12	A'	469	462	6.38
13	A"	3031	2989	19.05
14	A"	1445	1425	4.24
15	A"	1117	1101	0.64
16	A"	1027	1013	17.36
17	A"	682	672	1.36
18	A"	211	208	7.37

Atom	x (Å)	y (Å)	z (Å)
C1	-1.077	-0.421	0.000
N2	0.000	0.555	0.000
C3	1.190	0.122	0.000
H4	-0.731	-1.469	0.000
H5	-1.708	-0.251	0.880
H6	-1.708	-0.251	-0.880
H7	1.450	-0.951	0.000
H8	2.018	0.835	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4535	2.3308	1.1034	1.0961	1.0961	2.5822	3.3399
N2	1.4535		1.2664	2.1520	2.0838	2.0838	2.0912	2.0373
C3	2.3308	1.2664		2.4940	3.0515	3.0515	1.1041	1.0927
H4	1.1034	2.1520	2.4940		1.7920	1.7920	2.2420	3.5865
H5	1.0961	2.0838	3.0515	1.7920		1.7596	3.3526	3.9796
H6	1.0961	2.0838	3.0515	1.7920	1.7596		3.3526	3.9796
H7	2.5822	2.0912	1.1041	2.2420	3.3526	3.3526		1.8739
H8	3.3399	2.0373	1.0927	3.5865	3.9796	3.9796	1.8739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.470	N2	C1	H4	114.910
N2	C1	H5	108.958	N2	C1	H6	108.958
N2	C3	H7	124.043	N2	C3	H8	119.226
H4	C1	H5	108.540	H4	C1	H6	108.540
H5	C1	H6	106.618	H7	C3	H8	116.731

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

using model chemistry: B97D3/cc-pVTZ

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	-0.127
2	N	-0.153
3	C	-0.085
4	H	0.042
5	H	0.092
6	H	0.092
7	H	0.040
8	H	0.100

	x	y	z	Total
	0.300	-1.318	0.000	1.352
CHELPG
AIM
ESP

	x	y	z
x	6.830	0.162	0.000
y	0.162	4.875	0.000
z	0.000	0.000	3.571

<r²>	48.685
(<r²>)^1/2	6.977

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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