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	hartrees
Energy at 0K	-133.942340
Energy at 298.15K	-133.947867
HF Energy	-133.942340
Nuclear repulsion energy	72.023327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3022	37.74
2	A'	3085	2955	28.73
3	A'	3008	2882	67.13
4	A'	2986	2861	49.31
5	A'	1762	1688	21.05
6	A'	1537	1473	18.78
7	A'	1506	1443	2.01
8	A'	1464	1403	3.29
9	A'	1255	1202	14.61
10	A'	1140	1092	0.59
11	A'	975	934	13.55
12	A'	480	460	5.95
13	A"	3106	2976	21.69
14	A"	1507	1444	3.69
15	A"	1156	1108	0.22
16	A"	1059	1015	16.50
17	A"	701	672	0.96
18	A"	227	217	8.09

Atom	x (Å)	y (Å)	z (Å)
C1	-1.077	-0.419	0.000
N2	0.000	0.555	0.000
C3	1.189	0.120	0.000
H4	-0.735	-1.469	0.000
H5	-1.708	-0.252	0.881
H6	-1.708	-0.252	-0.881
H7	1.454	-0.950	0.000
H8	2.019	0.830	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4523	2.3293	1.1033	1.0965	1.0965	2.5856	3.3385
N2	1.4523		1.2665	2.1531	2.0842	2.0842	2.0928	2.0378
C3	2.3293	1.2665		2.4954	3.0509	3.0509	1.1023	1.0921
H4	1.1033	2.1531	2.4954		1.7896	1.7896	2.2496	3.5874
H5	1.0965	2.0842	3.0509	1.7896		1.7613	3.3557	3.9797
H6	1.0965	2.0842	3.0509	1.7896	1.7613		3.3557	3.9797
H7	2.5856	2.0928	1.1023	2.2496	3.3557	3.3557		1.8676
H8	3.3385	2.0378	1.0921	3.5874	3.9797	3.9797	1.8676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.748	N2	C1	H4	114.122
N2	C1	H5	108.917	N2	C1	H6	108.917
N2	C3	H7	123.985	N2	C3	H8	119.357
H4	C1	H5	108.886	H4	C1	H6	108.886
H5	C1	H6	106.865	H7	C3	H8	116.658

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

using model chemistry: B3LYPultrafine/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	-0.321
2	N	-0.281
3	C	-0.126
4	H	0.127
5	H	0.166
6	H	0.166
7	H	0.120
8	H	0.149

	x	y	z	Total
	0.307	-1.408	0.000	1.441
CHELPG
AIM
ESP

	x	y	z
x	6.004	0.095	0.000
y	0.095	3.962	0.000
z	0.000	0.000	2.670

<r²>	48.501
(<r²>)^1/2	6.964

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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