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	hartrees
Energy at 0K	-133.760377
Energy at 298.15K	-133.765854
HF Energy	-133.760377
Nuclear repulsion energy	71.675623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3081	3037	36.11
2	A'	3018	2975	24.16
3	A'	2919	2877	82.32
4	A'	2907	2866	44.94
5	A'	1706	1682	16.06
6	A'	1487	1466	18.62
7	A'	1455	1435	3.34
8	A'	1410	1389	1.62
9	A'	1209	1192	13.04
10	A'	1103	1087	0.52
11	A'	960	946	13.62
12	A'	464	458	5.78
13	A"	3043	2999	16.94
14	A"	1456	1436	4.44
15	A"	1116	1100	0.04
16	A"	1012	997	18.34
17	A"	684	674	1.45
18	A"	229	226	8.30

Atom	x (Å)	y (Å)	z (Å)
C1	-1.079	-0.413	0.000
N2	0.000	0.560	0.000
C3	1.194	0.110	0.000
H4	-0.743	-1.474	0.000
H5	-1.716	-0.240	0.886
H6	-1.716	-0.240	-0.886
H7	1.453	-0.972	0.000
H8	2.034	0.821	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4534	2.3323	1.1126	1.1048	1.1048	2.5930	3.3490
N2	1.4534		1.2759	2.1659	2.0908	2.0908	2.1117	2.0510
C3	2.3323	1.2759		2.5022	3.0620	3.0620	1.1126	1.1007
H4	1.1126	2.1659	2.5022		1.8038	1.8038	2.2529	3.6029
H5	1.1048	2.0908	3.0620	1.8038		1.7713	3.3712	3.9973
H6	1.1048	2.0908	3.0620	1.8038	1.7713		3.3712	3.9973
H7	2.5930	2.1117	1.1126	2.2529	3.3712	3.3712		1.8845
H8	3.3490	2.0510	1.1007	3.6029	3.9973	3.9973	1.8845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.272	N2	C1	H4	114.493
N2	C1	H5	108.865	N2	C1	H6	108.865
N2	C3	H7	124.144	N2	C3	H8	119.122
H4	C1	H5	108.875	H4	C1	H6	108.875
H5	C1	H6	106.576	H7	C3	H8	116.734

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

using model chemistry: PBEPBE/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	-0.374
2	N	-0.253
3	C	-0.156
4	H	0.138
5	H	0.180
6	H	0.180
7	H	0.126
8	H	0.158

	x	y	z	Total
	0.232	-1.338	0.000	1.358
CHELPG
AIM
ESP

	x	y	z
x	6.190	0.119	0.000
y	0.119	4.132	0.000
z	0.000	0.000	2.726

<r²>	48.769
(<r²>)^1/2	6.984

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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