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	hartrees
Energy at 0K	-133.909652
Energy at 298.15K	-133.915118
HF Energy	-133.909652
Nuclear repulsion energy	71.996314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3068	3021	33.28
2	A'	3013	2967	26.28
3	A'	2913	2868	119.84
4	A'	2905	2860	35.32
5	A'	1682	1656	15.85
6	A'	1474	1452	20.57
7	A'	1444	1422	1.68
8	A'	1398	1376	1.50
9	A'	1207	1189	17.30
10	A'	1098	1081	0.15
11	A'	932	917	14.09
12	A'	468	461	6.00
13	A"	3033	2987	15.96
14	A"	1444	1422	5.16
15	A"	1116	1099	0.79
16	A"	1025	1010	20.10
17	A"	679	668	1.08
18	A"	207	204	7.65

Atom	x (Å)	y (Å)	z (Å)
C1	-1.078	-0.421	0.000
N2	0.000	0.554	0.000
C3	1.191	0.123	0.000
H4	-0.731	-1.469	0.000
H5	-1.708	-0.251	0.880
H6	-1.708	-0.251	-0.880
H7	1.451	-0.950	0.000
H8	2.018	0.837	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4535	2.3335	1.1031	1.0959	1.0959	2.5836	3.3416
N2	1.4535		1.2667	2.1503	2.0834	2.0834	2.0895	2.0374
C3	2.3335	1.2667		2.4956	3.0532	3.0532	1.1038	1.0922
H4	1.1031	2.1503	2.4956		1.7922	1.7922	2.2429	3.5877
H5	1.0959	2.0834	3.0532	1.7922		1.7601	3.3533	3.9801
H6	1.0959	2.0834	3.0532	1.7922	1.7601		3.3533	3.9801
H7	2.5836	2.0895	1.1038	2.2429	3.3533	3.3533		1.8747
H8	3.3416	2.0374	1.0922	3.5877	3.9801	3.9801	1.8747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.993	N2	C1	H4	113.802
N2	C1	H5	108.802	N2	C1	H6	108.802
N2	C3	H7	123.493	N2	C3	H8	119.290
H4	C1	H5	109.178	H4	C1	H6	109.178
H5	C1	H6	106.847	H7	C3	H8	117.218

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

using model chemistry: B97D3/aug-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	-0.332
2	N	-0.313
3	C	-0.462
4	H	0.209
5	H	0.167
6	H	0.167
7	H	0.294
8	H	0.270

	x	y	z	Total
	0.345	-1.395	0.000	1.437
CHELPG
AIM
ESP

	x	y	z
x	7.228	0.139	0.000
y	0.139	5.539	0.000
z	0.000	0.000	4.215

<r²>	48.842
(<r²>)^1/2	6.989

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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