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	hartrees
Energy at 0K	-133.942341
Energy at 298.15K	-133.947867
HF Energy	-133.942341
Nuclear repulsion energy	72.023682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3030	37.76
2	A'	3085	2963	28.72
3	A'	3009	2889	67.22
4	A'	2986	2868	49.26
5	A'	1762	1692	21.10
6	A'	1537	1476	18.71
7	A'	1506	1447	2.01
8	A'	1464	1406	3.30
9	A'	1255	1205	14.65
10	A'	1141	1095	0.60
11	A'	975	937	13.53
12	A'	479	460	5.94
13	A"	3107	2984	21.68
14	A"	1507	1447	3.69
15	A"	1157	1111	0.23
16	A"	1059	1017	16.52
17	A"	701	673	0.96
18	A"	227	218	8.08

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	-1.468	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	2.5857	3.3384
N2	1.4523		1.2665	2.1530	2.0841	2.0841	2.0928	2.0378
C3	2.3293	1.2665		2.4953	3.0509	3.0509	1.1023	1.0921
H4	1.1033	2.1530	2.4953		1.7896	1.7896	2.2496	3.5872
H5	1.0965	2.0841	3.0509	1.7896		1.7614	3.3557	3.9796
H6	1.0965	2.0841	3.0509	1.7896	1.7614		3.3557	3.9796
H7	2.5857	2.0928	1.1023	2.2496	3.3557	3.3557		1.8675
H8	3.3384	2.0378	1.0921	3.5872	3.9796	3.9796	1.8675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.747	N2	C1	H4	114.116
N2	C1	H5	108.915	N2	C1	H6	108.915
N2	C3	H7	123.992	N2	C3	H8	119.355
H4	C1	H5	108.889	H4	C1	H6	108.889
H5	C1	H6	106.872	H7	C3	H8	116.653

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

using model chemistry: B3LYP/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>	48.500
(<r²>)^1/2	6.964

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

using model chemistry: B3LYP/6-31G*

States and conformations

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