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	hartrees
Energy at 0K	-133.973507
Energy at 298.15K	-133.979034
HF Energy	-133.973507
Nuclear repulsion energy	72.162210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3126	3020	40.86
2	A'	3068	2965	31.15
3	A'	2976	2875	102.37
4	A'	2963	2863	40.29
5	A'	1746	1687	19.96
6	A'	1524	1472	23.31
7	A'	1493	1443	1.24
8	A'	1452	1403	1.85
9	A'	1249	1207	18.22
10	A'	1135	1096	0.24
11	A'	968	936	15.16
12	A'	482	466	6.26
13	A"	3088	2984	24.51
14	A"	1493	1443	5.79
15	A"	1153	1114	0.52
16	A"	1053	1018	19.95
17	A"	701	677	1.50
18	A"	220	213	7.90

Atom	x (Å)	y (Å)	z (Å)
C1	-1.075	-0.423	0.000
N2	0.000	0.552	0.000
C3	1.187	0.126	0.000
H4	-0.730	-1.468	0.000
H5	-1.705	-0.256	0.878
H6	-1.705	-0.256	-0.878
H7	1.454	-0.943	0.000
H8	2.012	0.839	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4513	2.3276	1.1011	1.0937	1.0937	2.5822	3.3348
N2	1.4513		1.2616	2.1486	2.0817	2.0817	2.0860	2.0322
C3	2.3276	1.2616		2.4932	3.0470	3.0470	1.1014	1.0906
H4	1.1011	2.1486	2.4932		1.7865	1.7865	2.2466	3.5836
H5	1.0937	2.0817	3.0470	1.7865		1.7560	3.3506	3.9736
H6	1.0937	2.0817	3.0470	1.7865	1.7560		3.3506	3.9736
H7	2.5822	2.0860	1.1014	2.2466	3.3506	3.3506		1.8674
H8	3.3348	2.0322	1.0906	3.5836	3.9736	3.9736	1.8674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.011	N2	C1	H4	113.954
N2	C1	H5	108.956	N2	C1	H6	108.956
N2	C3	H7	123.813	N2	C3	H8	119.349
H4	C1	H5	108.969	H4	C1	H6	108.969
H5	C1	H6	106.796	H7	C3	H8	116.839

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

using model chemistry: B3LYP/6-311G*

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	-0.518
2	N	-0.207
3	C	-0.259
4	H	0.175
5	H	0.220
6	H	0.220
7	H	0.165
8	H	0.204

	x	y	z	Total
	0.325	-1.399	0.000	1.437
CHELPG
AIM
ESP

	x	y	z
x	6.308	0.076	0.000
y	0.076	4.290	0.000
z	0.000	0.000	3.013

<r²>	48.604
(<r²>)^1/2	6.972

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

using model chemistry: B3LYP/6-311G*

States and conformations

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