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	hartrees
Energy at 0K	-133.932494
Energy at 298.15K	-133.937963
HF Energy	-133.932494
Nuclear repulsion energy	71.725007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3038	3028	34.93
2	A'	2984	2975	24.47
3	A'	2885	2877	115.07
4	A'	2877	2868	30.53
5	A'	1666	1661	14.57
6	A'	1470	1465	19.82
7	A'	1441	1437	2.53
8	A'	1394	1390	2.65
9	A'	1201	1198	17.11
10	A'	1093	1090	0.26
11	A'	913	910	13.90
12	A'	463	462	6.57
13	A"	3000	2991	16.93
14	A"	1440	1436	4.21
15	A"	1111	1107	0.64
16	A"	1023	1020	17.40
17	A"	681	679	1.39
18	A"	217	216	7.22

Atom	x (Å)	y (Å)	z (Å)
C1	-1.083	-0.426	0.000
N2	0.000	0.555	0.000
C3	1.196	0.127	0.000
H4	-0.736	-1.476	0.000
H5	-1.715	-0.257	0.881
H6	-1.715	-0.257	-0.881
H7	1.464	-0.946	0.000
H8	2.022	0.844	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4615	2.3446	1.1057	1.0981	1.0981	2.5989	3.3549
N2	1.4615		1.2703	2.1608	2.0924	2.0924	2.0971	2.0430
C3	2.3446	1.2703		2.5103	3.0657	3.0657	1.1061	1.0944
H4	1.1057	2.1608	2.5103		1.7954	1.7954	2.2626	3.6045
H5	1.0981	2.0924	3.0657	1.7954		1.7624	3.3704	3.9949
H6	1.0981	2.0924	3.0657	1.7954	1.7624		3.3704	3.9949
H7	2.5989	2.0971	1.1061	2.2626	3.3704	3.3704		1.8755
H8	3.3549	2.0430	1.0944	3.6045	3.9949	3.9949	1.8755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.078	N2	C1	H4	113.930
N2	C1	H5	108.843	N2	C1	H6	108.843
N2	C3	H7	123.737	N2	C3	H8	119.338
H4	C1	H5	109.120	H4	C1	H6	109.120
H5	C1	H6	106.739	H7	C3	H8	116.925

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

using model chemistry: BLYP/cc-pVTZ

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	-0.136
2	N	-0.150
3	C	-0.088
4	H	0.043
5	H	0.096
6	H	0.096
7	H	0.038
8	H	0.100

	x	y	z	Total
	0.285	-1.310	0.000	1.341
CHELPG
AIM
ESP

	x	y	z
x	6.917	0.178	0.000
y	0.178	4.934	0.000
z	0.000	0.000	3.594

<r²>	49.215
(<r²>)^1/2	7.015

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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