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	hartrees
Energy at 0K	-133.769838
Energy at 298.15K	-133.775310
HF Energy	-133.769838
Nuclear repulsion energy	71.799278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3064	3032	30.26
2	A'	3007	2976	21.81
3	A'	2906	2876	77.10
4	A'	2898	2868	36.58
5	A'	1696	1679	14.18
6	A'	1458	1443	16.65
7	A'	1426	1412	4.25
8	A'	1380	1365	1.74
9	A'	1195	1183	15.76
10	A'	1086	1075	0.26
11	A'	956	946	12.91
12	A'	460	455	5.99
13	A"	3030	2999	13.33
14	A"	1425	1410	3.81
15	A"	1106	1094	0.19
16	A"	1013	1002	15.54
17	A"	682	675	1.35
18	A"	225	223	7.34

Atom	x (Å)	y (Å)	z (Å)
C1	-1.077	-0.414	0.000
N2	0.000	0.559	0.000
C3	1.191	0.112	0.000
H4	-0.736	-1.471	0.000
H5	-1.715	-0.243	0.884
H6	-1.715	-0.243	-0.884
H7	1.448	-0.969	0.000
H8	2.032	0.821	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4513	2.3282	1.1110	1.1038	1.1038	2.5850	3.3447
N2	1.4513		1.2727	2.1602	2.0900	2.0900	2.1054	2.0484
C3	2.3282	1.2727		2.4946	3.0589	3.0589	1.1110	1.0996
H4	1.1110	2.1602	2.4946		1.8024	1.8024	2.2413	3.5942
H5	1.1038	2.0900	3.0589	1.8024		1.7679	3.3638	3.9942
H6	1.1038	2.0900	3.0589	1.8024	1.7679		3.3638	3.9942
H7	2.5850	2.1054	1.1110	2.2413	3.3638	3.3638		1.8832
H8	3.3447	2.0484	1.0996	3.5942	3.9942	3.9942	1.8832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.304	N2	C1	H4	114.272
N2	C1	H5	108.999	N2	C1	H6	108.999
N2	C3	H7	123.935	N2	C3	H8	119.231
H4	C1	H5	108.935	H4	C1	H6	108.935
H5	C1	H6	106.409	H7	C3	H8	116.834

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.344
2	N	-0.075
3	C	-0.206
4	H	0.108
5	H	0.146
6	H	0.146
7	H	0.100
8	H	0.127

	x	y	z	Total
	0.246	-1.255	0.000	1.279
CHELPG
AIM
ESP

	x	y	z
x	6.332	0.190	0.000
y	0.190	4.288	0.000
z	0.000	0.000	3.055

<r²>	48.606
(<r²>)^1/2	6.972

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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