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	hartrees
Energy at 0K	-134.006017
Energy at 298.15K	-134.011539
HF Energy	-134.006017
Nuclear repulsion energy	72.332575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3122	3024	28.99
2	A'	3062	2966	23.84
3	A'	2975	2883	83.73
4	A'	2964	2871	41.14
5	A'	1739	1685	17.95
6	A'	1509	1462	22.32
7	A'	1480	1434	1.74
8	A'	1437	1392	1.56
9	A'	1243	1204	18.50
10	A'	1127	1092	0.20
11	A'	964	934	13.85
12	A'	477	462	6.60
13	A"	3080	2984	14.62
14	A"	1477	1431	5.36
15	A"	1145	1109	0.49
16	A"	1068	1034	18.95
17	A"	698	676	1.12
18	A"	217	210	7.89

Atom	x (Å)	y (Å)	z (Å)
C1	-1.074	-0.423	0.000
N2	0.000	0.548	0.000
C3	1.186	0.129	0.000
H4	-0.726	-1.464	0.000
H5	-1.702	-0.257	0.876
H6	-1.702	-0.257	-0.876
H7	1.450	-0.936	0.000
H8	2.007	0.842	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4481	2.3268	1.0974	1.0907	1.0907	2.5760	3.3304
N2	1.4481		1.2584	2.1393	2.0769	2.0769	2.0754	2.0281
C3	2.3268	1.2584		2.4891	3.0432	3.0432	1.0974	1.0870
H4	1.0974	2.1393	2.4891		1.7824	1.7824	2.2397	3.5759
H5	1.0907	2.0769	3.0432	1.7824		1.7516	3.3419	3.9664
H6	1.0907	2.0769	3.0432	1.7824	1.7516		3.3419	3.9664
H7	2.5760	2.0754	1.0974	2.2397	3.3419	3.3419		1.8634
H8	3.3304	2.0281	1.0870	3.5759	3.9664	3.9664	1.8634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.404	N2	C1	H4	113.656
N2	C1	H5	108.970	N2	C1	H6	108.970
N2	C3	H7	123.385	N2	C3	H8	119.523
H4	C1	H5	109.093	H4	C1	H6	109.093
H5	C1	H6	106.835	H7	C3	H8	117.091

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

using model chemistry: B3LYP/cc-pVQZ

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	-0.085
2	N	-0.275
3	C	0.005
4	H	0.027
5	H	0.096
6	H	0.096
7	H	0.019
8	H	0.118

	x	y	z	Total
	0.367	-1.427	0.000	1.473
CHELPG
AIM
ESP

	x	y	z
x	6.807	0.133	0.000
y	0.133	4.952	0.000
z	0.000	0.000	3.785

<r²>	48.536
(<r²>)^1/2	6.967

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

using model chemistry: B3LYP/cc-pVQZ

States and conformations

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