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	hartrees
Energy at 0K	-133.956071
Energy at 298.15K	-133.961588
HF Energy	-133.956071
Nuclear repulsion energy	71.979931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3042	28.14
2	A'	3080	2970	25.01
3	A'	2996	2889	76.99
4	A'	2975	2869	56.75
5	A'	1745	1682	18.34
6	A'	1514	1460	21.67
7	A'	1484	1431	2.65
8	A'	1442	1391	0.78
9	A'	1242	1197	15.41
10	A'	1128	1087	0.29
11	A'	968	934	14.99
12	A'	478	461	5.44
13	A"	3102	2990	15.16
14	A"	1481	1428	6.37
15	A"	1144	1103	0.59
16	A"	1059	1021	23.52
17	A"	696	671	1.08
18	A"	220	212	9.44

Atom	x (Å)	y (Å)	z (Å)
C1	-1.079	-0.420	0.000
N2	0.000	0.554	0.000
C3	1.193	0.122	0.000
H4	-0.733	-1.467	0.000
H5	-1.709	-0.251	0.880
H6	-1.709	-0.251	-0.880
H7	1.451	-0.949	0.000
H8	2.019	0.834	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4533	2.3352	1.1026	1.0955	1.0955	2.5846	3.3420
N2	1.4533		1.2683	2.1498	2.0840	2.0840	2.0890	2.0383
C3	2.3352	1.2683		2.4968	3.0550	3.0550	1.1019	1.0908
H4	1.1026	2.1498	2.4968		1.7905	1.7905	2.2448	3.5874
H5	1.0955	2.0840	3.0550	1.7905		1.7599	3.3538	3.9812
H6	1.0955	2.0840	3.0550	1.7905	1.7599		3.3538	3.9812
H7	2.5846	2.0890	1.1019	2.2448	3.3538	3.3538		1.8714
H8	3.3420	2.0383	1.0908	3.5874	3.9812	3.9812	1.8714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.030	N2	C1	H4	113.804
N2	C1	H5	108.884	N2	C1	H6	108.884
N2	C3	H7	123.465	N2	C3	H8	119.356
H4	C1	H5	109.083	H4	C1	H6	109.083
H5	C1	H6	106.876	H7	C3	H8	117.180

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

using model chemistry: B3LYP/6-31+G**

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	-0.380
2	N	-0.138
3	C	-0.159
4	H	0.117
5	H	0.158
6	H	0.158
7	H	0.107
8	H	0.137

	x	y	z	Total
	0.363	-1.608	0.000	1.649
CHELPG
AIM
ESP

	x	y	z
x	6.635	-0.001	0.000
y	-0.001	4.749	0.000
z	0.000	0.000	3.549

<r²>	48.932
(<r²>)^1/2	6.995

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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